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

Systemtic Name: 2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-26-18-9-8-14(11-19(18)27-2)20-16(10-15(12-22)21(23)28)13-25(24-20)17-6-4-3-5-7-17/h3-11,13H,1-2H3,(H2,23,28)