2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium (CHEBI:44479)

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CHEBI:44479 - 2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium

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ChEBI ID	CHEBI:44479
ChEBI Name	2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium
Stars
ASCII Name	2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium
Last Modified	16 May 2008
Downloads	Molfile

Formula	C24H16N7O2S
Net Charge	+1
Average Mass	466.506
Monoisotopic Mass	466.10807
SMILES	[H]/C(=C(/[H])c1c([H])c([H])c([H])c([H])c1[H])c1nn(-c2nc3c([H])c([H])c([H])c([H])c3s2)[n+](-c2c([H])c([H])c3c(=O)n([H])n([H])c(=O)c3c2[H])n1
InChI	InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+
InChIKey	BEIGFKLRGRRJJA-JLHYYAGUSA-O

ChEBI Ontology

Outgoing Relation(s)
	2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium (CHEBI:44479) is a benzothiazoles (CHEBI:37947)
	2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium (CHEBI:44479) is a phthalazines (CHEBI:38768)
	2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium (CHEBI:44479) is a tetrazoles (CHEBI:35689)

Synonyms	Source
2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium	PDBeChem
3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM	PDBeChem

Manual Xrefs	Databases
O16	PDBeChem