methyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-3-(methylthio)acrylic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C(C#N)C(=O)OC)SC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=C(/C#N)\C(=O)OC)/SC

InChI

InChI=1S/C17H18N4O3S/c1-11-14(19-15(25-4)13(10-18)17(23)24-3)16(22)21(20(11)2)12-8-6-5-7-9-12/h5-9,19H,1-4H3/b15-13+