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

Systemtic Name: 2-(4-methoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Openeye Name: 2-(4-methoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine CAS Name: 2-(4-methoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine IUPAC Name: 2-(4-methoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Traditional Name: 2-(4-methoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine Formula: C17H16N2OS MolecularWeight: 296.38674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2OS/c1-20-13-9-7-12(8-10-13)16-11-17(21-2)19-15-6-4-3-5-14(15)18-16/h3-10H,11H2,1-2H3