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

Systemtic Name: 6-(4-methylphenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-phenylsulfanyl-6-(p-tolyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-(4-methylphenyl)-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-(4-methylphenyl)-4-phenylsulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-(phenylthio)-6-(p-tolyl)pyrimido[4,5-b][1,4]benzothiazepine Formula: C24H17N3S2 MolecularWeight: 411.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C24H17N3S2/c1-16-11-13-17(14-12-16)21-19-9-5-6-10-20(19)29-24-22(27-21)23(25-15-26-24)28-18-7-3-2-4-8-18/h2-15H,1H3