N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-2-(m-tolylmethylsulfanyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(3-methylbenzyl)thio]-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C28H27N3OS2 MolecularWeight: 485.66348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC(=C(C=C3)C)C)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC(=C(C=C3)C)C)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C28H27N3OS2/c1-18-8-12-24(13-9-18)34-25-16-29-28(33-17-22-7-5-6-19(2)14-22)31-26(25)27(32)30-23-11-10-20(3)21(4)15-23/h5-16H,17H2,1-4H3,(H,30,32)