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

Systemtic Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-methyl-6-phenyl-4-(p-tolylsulfanyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methyl-4-[(4-methylphenyl)thio]-6-phenylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-methyl-6-phenyl-4-(p-tolylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C25H19N3S2 MolecularWeight: 425.56846

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3S2/c1-16-8-11-19(12-9-16)29-24-23-25(27-15-26-24)30-21-13-10-17(2)14-20(21)22(28-23)18-6-4-3-5-7-18/h3-15H,1-2H3