2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4OS/c1-25-18-9-7-14(8-10-18)19-16(11-15(12-21)20(22)26)13-24(23-19)17-5-3-2-4-6-17/h2-11,13H,1H3,(H2,22,26)