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

Systemtic Name: 2-(3,5-dimethylphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Openeye Name: 2-(3,5-dimethylphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine CAS Name: 2-(3,5-dimethylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine IUPAC Name: 2-(3,5-dimethylphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Traditional Name: 2-(3,5-dimethylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine Formula: C18H18N2S MolecularWeight: 294.41392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SC)C

InChI

InChI=1S/C18H18N2S/c1-12-8-13(2)10-14(9-12)17-11-18(21-3)20-16-7-5-4-6-15(16)19-17/h4-10H,11H2,1-3H3