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

Systemtic Name: 8-methyl-4-(4-methylphenyl)sulfinyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-methyl-6-phenyl-4-(p-tolylsulfinyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methyl-4-(4-methylphenyl)sulfinyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-methyl-4-(4-methylphenyl)sulfinyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-methyl-6-phenyl-4-(p-tolylsulfinyl)pyrimido[4,5-b][1,4]benzothiazepine Formula: C25H19N3OS2 MolecularWeight: 441.56786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3OS2/c1-16-8-11-19(12-9-16)31(29)25-23-24(26-15-27-25)30-21-13-10-17(2)14-20(21)22(28-23)18-6-4-3-5-7-18/h3-15H,1-2H3