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

Systemtic Name: 4-(4-nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine CAS Name: 4-(4-nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S/c24-23(25)17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(20)22-19/h1-13,21H,14H2