2-(2-chloranyl-5-nitro-phenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(2-chloranyl-5-nitro-phenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine Openeye Name: 2-(2-chloro-5-nitro-phenyl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 2-(2-chloro-5-nitrophenyl)-4-(1-naphthalenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 2-(2-chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine Traditional Name: 2-(2-chloro-5-nitro-phenyl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine Formula: C25H17ClN2O2S MolecularWeight: 444.93268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H17ClN2O2S/c26-21-13-12-17(28(29)30)14-20(21)25-15-23(27-22-10-3-4-11-24(22)31-25)19-9-5-7-16-6-1-2-8-18(16)19/h1-14,25H,15H2