2-(4-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(4-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-nitrophenyl)-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 2-(4-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 2-(4-methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-nitrophenyl)-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O2S/c1-15-6-8-17(9-7-15)22-14-20(16-10-12-18(13-11-16)24(25)26)23-19-4-2-3-5-21(19)27-22/h2-13,22H,14H2,1H3