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

Systemtic Name: 2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]thioacrylamide Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4S/c1-2-15-8-10-16(11-9-15)20-18(12-17(13-22)21(23)26)14-25(24-20)19-6-4-3-5-7-19/h3-12,14H,2H2,1H3,(H2,23,26)