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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-N-(3,4-dimethylphenyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-N-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-N-(3,4-dimethylphenyl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C27H24ClN3OS2 MolecularWeight: 506.08196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=C(C=C3)C)C)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=C(C=C3)C)C)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3OS2/c1-17-5-4-6-20(13-17)16-33-27-29-15-24(34-23-11-8-21(28)9-12-23)25(31-27)26(32)30-22-10-7-18(2)19(3)14-22/h4-15H,16H2,1-3H3,(H,30,32)