3-[4-(2-cyanoethyl)-3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-yl]propanenitrile

Systemtic Name: 3-[4-(2-cyanoethyl)-3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-yl]propanenitrile Openeye Name: 3-[4-(2-cyanoethyl)-3-methyl-1-phenyl-5-thioxo-pyrazol-4-yl]propanenitrile CAS Name: 3-[4-(2-cyanoethyl)-3-methyl-1-phenyl-5-sulfanylidene-4-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(2-cyanoethyl)-3-methyl-1-phenyl-5-sulfanylidenepyrazol-4-yl]propanenitrile Traditional Name: 3-[4-(2-cyanoethyl)-3-methyl-1-phenyl-5-thioxo-2-pyrazolin-4-yl]propionitrile Formula: C16H16N4S MolecularWeight: 296.39004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1(CCC#N)CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=S)C1(CCC#N)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4S/c1-13-16(9-5-11-17,10-6-12-18)15(21)20(19-13)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-10H2,1H3