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

Systemtic Name: 2-cyano-3-[1-phenyl-3-(phenylcarbonyl)pyrazol-4-yl]prop-2-enethioamide Openeye Name: 3-(3-benzoyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enethioamide CAS Name: 3-(3-benzoyl-1-phenyl-4-pyrazolyl)-2-cyano-2-propenethioamide IUPAC Name: 3-(3-benzoyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enethioamide Traditional Name: 3-(3-benzoyl-1-phenyl-pyrazol-4-yl)-2-cyano-thioacrylamide Formula: C20H14N4OS MolecularWeight: 358.41636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4OS/c21-12-15(20(22)26)11-16-13-24(17-9-5-2-6-10-17)23-18(16)19(25)14-7-3-1-4-8-14/h1-11,13H,(H2,22,26)