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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC(=C4)C

InChI

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