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

Systemtic Name: 4-(4-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Openeye Name: 4-(4-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine CAS Name: 4-[4-(methylthio)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine IUPAC Name: 4-(4-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Traditional Name: 4-[4-(methylthio)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Formula: C19H18N2S MolecularWeight: 306.42462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C3=CC=CN3C4=CC=CC=C4CN2

Isomeric SMILES

CSC1=CC=C(C=C1)C2C3=CC=CN3C4=CC=CC=C4CN2

InChI

InChI=1S/C19H18N2S/c1-22-16-10-8-14(9-11-16)19-18-7-4-12-21(18)17-6-3-2-5-15(17)13-20-19/h2-12,19-20H,13H2,1H3