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

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-2-[(3-methylphenyl)methylsulfanyl]-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-(4-chlorophenyl)sulfanyl-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-2-[(3-methylphenyl)methylthio]-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-(4-chlorophenyl)sulfanyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-benzyl-5-[(4-chlorophenyl)thio]-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C26H22ClN3OS2 MolecularWeight: 492.05538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3OS2/c1-18-6-5-9-20(14-18)17-32-26-29-16-23(33-22-12-10-21(27)11-13-22)24(30-26)25(31)28-15-19-7-3-2-4-8-19/h2-14,16H,15,17H2,1H3,(H,28,31)