8-methyl-4-(4-methylphenyl)sulfanyl-6-pyridin-3-yl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-pyridin-3-yl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-methyl-4-(p-tolylsulfanyl)-6-(3-pyridyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methyl-4-[(4-methylphenyl)thio]-6-(3-pyridinyl)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-pyridin-3-ylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-methyl-4-(p-tolylthio)-6-(3-pyridyl)pyrimido[4,5-b][1,4]benzothiazepine Formula: C24H18N4S2 MolecularWeight: 426.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)C)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)C)C5=CN=CC=C5

InChI

InChI=1S/C24H18N4S2/c1-15-5-8-18(9-6-15)29-23-22-24(27-14-26-23)30-20-10-7-16(2)12-19(20)21(28-22)17-4-3-11-25-13-17/h3-14H,1-2H3