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

Systemtic Name: N-(4-ethoxyphenyl)-5-(4-methylphenyl)sulfanyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-N-(4-ethoxyphenyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-5-[(4-methylphenyl)thio]-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(4-ethoxyphenyl)-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-N-p-phenetyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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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)C)SCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2S2/c1-3-32-22-13-11-21(12-14-22)29-26(31)25-24(34-23-15-9-19(2)10-16-23)17-28-27(30-25)33-18-20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3,(H,29,31)