4-(4-ethylphenyl)-7-methylsulfanyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Systemtic Name: 4-(4-ethylphenyl)-7-methylsulfanyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Openeye Name: 4-(4-ethylphenyl)-7-methylsulfanyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine CAS Name: 4-(4-ethylphenyl)-7-(methylthio)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine IUPAC Name: 4-(4-ethylphenyl)-7-methylsulfanyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Traditional Name: 4-(4-ethylphenyl)-7-(methylthio)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Formula: C21H22N2S MolecularWeight: 334.47778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=CC=CN3C4=C(CN2)C(=CC=C4)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=CC=CN3C4=C(CN2)C(=CC=C4)SC

InChI

InChI=1S/C21H22N2S/c1-3-15-9-11-16(12-10-15)21-19-7-5-13-23(19)18-6-4-8-20(24-2)17(18)14-22-21/h4-13,21-22H,3,14H2,1-2H3