6-[(2-methylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine

Systemtic Name: 6-[(2-methylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Openeye Name: 6-(o-tolylmethylsulfanyl)-11H-pyrido[2,3-b][1,4]benzodiazepine CAS Name: 6-[(2-methylphenyl)methylthio]-11H-pyrido[2,3-b][1,4]benzodiazepine IUPAC Name: 6-[(2-methylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Traditional Name: 6-[(2-methylbenzyl)thio]-11H-pyrido[2,3-b][1,4]benzodiazepine Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C20H17N3S/c1-14-7-2-3-8-15(14)13-24-20-16-9-4-5-10-17(16)22-19-18(23-20)11-6-12-21-19/h2-12H,13H2,1H3,(H,21,22)