N-[(2-chlorophenyl)methyl]-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H17ClN4O3S/c1-29-15-8-6-13(7-9-15)19-16(10-23)20(28)26-21(25-19)30-12-18(27)24-11-14-4-2-3-5-17(14)22/h2-9H,11-12H2,1H3,(H,24,27)(H,25,26,28)