4-(4-methoxyphenyl)-2-methylsulfanyl-7-phenoxy-3H-1,5-benzodiazepine

Systemtic Name: 4-(4-methoxyphenyl)-2-methylsulfanyl-7-phenoxy-3H-1,5-benzodiazepine Openeye Name: 4-(4-methoxyphenyl)-2-methylsulfanyl-7-phenoxy-3H-1,5-benzodiazepine CAS Name: 4-(4-methoxyphenyl)-2-(methylthio)-7-phenoxy-3H-1,5-benzodiazepine IUPAC Name: 4-(4-methoxyphenyl)-2-methylsulfanyl-7-phenoxy-3H-1,5-benzodiazepine Traditional Name: 4-(4-methoxyphenyl)-2-(methylthio)-7-phenoxy-3H-1,5-benzodiazepine Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=CC=C4)N=C(C2)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=CC=C4)N=C(C2)SC

InChI

InChI=1S/C23H20N2O2S/c1-26-17-10-8-16(9-11-17)21-15-23(28-2)25-20-13-12-19(14-22(20)24-21)27-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3