4-(4-methylphenyl)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(4-methylphenyl)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(4-nitrophenyl)-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-methylphenyl)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-methylphenyl)-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(4-nitrophenyl)-4-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O2S/c1-15-6-8-16(9-7-15)20-14-22(17-10-12-18(13-11-17)24(25)26)27-21-5-3-2-4-19(21)23-20/h2-14,22-23H,1H3