EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47694 - 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE

Default Structure
ChEBI IDCHEBI:47694
ChEBI Name4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
Stars
DownloadsMolfile
FormulaC16H20ClN3S
Net Charge0
Average Mass321.877
Monoisotopic Mass321.10665
SMILES[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])c2c([H])c(Cl)c([H])c3c2n(c(=S)n3[H])C([H])([H])[C@]1([H])C([H])([H])[H]
InChIInChI=1S/C16H20ClN3S/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyRCSLUNOLLUVOOG-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE (CHEBI:47694) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONEPDBeChem
(5S)-9-chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine-2(1H)-thionePDBeChem
Manual XrefsDatabases
TB9PDBeChem