2-[5-cyano-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[5-cyano-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[2-(2-anilino-2-oxo-ethyl)sulfanyl-6-benzylsulfanyl-5-cyano-pyrimidin-4-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[2-[(2-anilino-2-oxoethyl)thio]-5-cyano-6-(phenylmethylthio)-4-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[2-(2-anilino-2-oxoethyl)sulfanyl-6-benzylsulfanyl-5-cyanopyrimidin-4-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2-[(2-anilino-2-keto-ethyl)thio]-6-(benzylthio)-5-cyano-pyrimidin-4-yl]thio]-N-phenyl-acetamide Formula: C28H23N5O2S3 MolecularWeight: 557.70952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SCC(=O)NC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=NC(=N2)SCC(=O)NC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H23N5O2S3/c29-16-23-26(36-17-20-10-4-1-5-11-20)32-28(38-19-25(35)31-22-14-8-3-9-15-22)33-27(23)37-18-24(34)30-21-12-6-2-7-13-21/h1-15H,17-19H2,(H,30,34)(H,31,35)