2-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine CAS Name: 2-(3,4-dimethoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)SC)OC

InChI

InChI=1S/C18H18N2O2S/c1-21-16-9-8-12(10-17(16)22-2)15-11-18(23-3)20-14-7-5-4-6-13(14)19-15/h4-10H,11H2,1-3H3