6-[(2,5-dimethylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-11H-pyrido[2,3-b][1,4]benzodiazepine IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-11H-pyrido[2,3-b][1,4]benzodiazepine Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C21H19N3S/c1-14-9-10-15(2)16(12-14)13-25-21-17-6-3-4-7-18(17)23-20-19(24-21)8-5-11-22-20/h3-12H,13H2,1-2H3,(H,22,23)