5-(4-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(4-ethoxyphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-[(4-chlorophenyl)thio]-N-p-phenetyl-pyrimidine-4-carboxamide Formula: C26H22ClN3O2S2 MolecularWeight: 508.05478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C26H22ClN3O2S2/c1-2-32-21-12-10-20(11-13-21)29-25(31)24-23(34-22-14-8-19(27)9-15-22)16-28-26(30-24)33-17-18-6-4-3-5-7-18/h3-16H,2,17H2,1H3,(H,29,31)