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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(3-ethanoylphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-5-(4-chlorophenyl)sulfanyl-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-5-[(4-chlorophenyl)thio]-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-5-(4-chlorophenyl)sulfanyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-5-[(4-chlorophenyl)thio]-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C27H22ClN3O2S2 MolecularWeight: 520.06548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O2S2/c1-17-5-3-6-19(13-17)16-34-27-29-15-24(35-23-11-9-21(28)10-12-23)25(31-27)26(33)30-22-8-4-7-20(14-22)18(2)32/h3-15H,16H2,1-2H3,(H,30,33)