6-(2-nitrophenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-(2-nitrophenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-(2-nitrophenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-(2-nitrophenyl)-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-(2-nitrophenyl)-4-phenylsulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-(2-nitrophenyl)-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C23H14N4O2S2 MolecularWeight: 442.51286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=CC=CC=C4S3)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=CC=CC=C4S3)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H14N4O2S2/c28-27(29)18-12-6-4-10-16(18)20-17-11-5-7-13-19(17)31-23-21(26-20)22(24-14-25-23)30-15-8-2-1-3-9-15/h1-14H