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CHEBI:41122 - 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE

Default Structure
ChEBI IDCHEBI:41122
ChEBI Name3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H23N5O2S2
Net Charge0
Average Mass489.626
Monoisotopic Mass489.12932
SMILES[H]c1sc(S(=O)(=O)N2C([H])([H])c3c([H])c(C#N)c([H])c([H])c3N(C([H])([H])c3nc([H])n([H])c3[H])C([H])([H])[C@@]2([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1
InChIKeyOLCWFLWEHWLBTO-HSZRJFAPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE (CHEBI:41122) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILEPDBeChem
(3R)-3-benzyl-1-(1H-imidazol-4-ylmethyl)-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrilePDBeChem
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