N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=NN2)SC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=NN2)SC)C#N)OC

InChI

InChI=1S/C16H16N4O3S/c1-22-12-6-4-10(8-13(12)23-2)5-7-14(21)18-15-11(9-17)16(24-3)20-19-15/h4-8H,1-3H3,(H2,18,19,20,21)