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

Systemtic Name: 8-methyl-6-(4-methylphenyl)-4-(4-methylphenyl)sulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-methyl-6-(p-tolyl)-4-(p-tolylsulfanyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methyl-6-(4-methylphenyl)-4-[(4-methylphenyl)thio]pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-methyl-6-(4-methylphenyl)-4-(4-methylphenyl)sulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-methyl-6-(p-tolyl)-4-(p-tolylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C26H21N3S2 MolecularWeight: 439.59504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=C(C=C4)C)SC5=C2C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=C(C=C4)C)SC5=C2C=C(C=C5)C

InChI

InChI=1S/C26H21N3S2/c1-16-4-9-19(10-5-16)23-21-14-18(3)8-13-22(21)31-26-24(29-23)25(27-15-28-26)30-20-11-6-17(2)7-12-20/h4-15H,1-3H3