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CHEBI:47695 - 5-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:47695
ChEBI Name5-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
Last Modified17 October 2009
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(Cl)c([H])c([H])c3c2n(c(=S)n3[H])C([H])([H])[C@]1([H])C([H])([H])[H]
InChIInChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyZNFFMCYSMBXZQU-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
5-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:47695) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-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)-8-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
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