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

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]thioacrylamide Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5S/c17-7-4-8-21-11-14(9-13(10-18)16(19)22)15(20-21)12-5-2-1-3-6-12/h1-3,5-6,9,11H,4,8H2,(H2,19,22)