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

Systemtic Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCSC1=NNC(=C1C#N)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H18N4O3S/c1-4-25-17-12(10-18)16(20-21-17)19-15(22)8-6-11-5-7-13(23-2)14(9-11)24-3/h5-9H,4H2,1-3H3,(H2,19,20,21,22)