ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(4-methylpyrimidin-2-yl)sulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(4-methylpyrimidin-2-yl)sulfanyl-penta-2,4-dienoate Openeye Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(4-methylpyrimidin-2-yl)sulfanyl-penta-2,4-dienoate CAS Name: (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-[(4-methyl-2-pyrimidinyl)thio]penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(4-methylpyrimidin-2-yl)sulfanylpenta-2,4-dienoate Traditional Name: (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-[(4-methylpyrimidin-2-yl)thio]penta-2,4-dienoic acid ethyl ester Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)SC2=NC=CC(=N2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C1=CC=C(C=C1)Cl)\SC2=NC=CC(=N2)C)/C#N

InChI

InChI=1S/C19H16ClN3O2S/c1-3-25-18(24)15(12-21)6-9-17(14-4-7-16(20)8-5-14)26-19-22-11-10-13(2)23-19/h4-11H,3H2,1-2H3/b15-6+,17-9-