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

Systemtic Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C23H22N4O3S/c1-4-31-23-18(15-24)22(26-27(23)17-8-6-5-7-9-17)25-21(28)13-11-16-10-12-19(29-2)20(14-16)30-3/h5-14H,4H2,1-3H3,(H,25,26,28)