propyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]acetic acid propyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C17H17N3O3S/c1-3-8-23-14(21)10-24-17-19-15(13(9-18)16(22)20-17)12-6-4-11(2)5-7-12/h4-7H,3,8,10H2,1-2H3,(H,19,20,22)