N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]-3-(4-methoxyphenyl)acrylamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=NN(C(=C2C#N)SC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC2=NN(C(=C2C#N)SC)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2S/c1-27-17-11-8-15(9-12-17)10-13-19(26)23-20-18(14-22)21(28-2)25(24-20)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24,26)