3-[[1-(2-cyanoethyl)-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]amino]propanenitrile

Systemtic Name: 3-[[1-(2-cyanoethyl)-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]amino]propanenitrile Openeye Name: 3-[[3-benzyl-1-(2-cyanoethyl)-5-thioxo-1,2,4-triazol-4-yl]amino]propanenitrile CAS Name: 3-[[1-(2-cyanoethyl)-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]amino]propanenitrile IUPAC Name: 3-[[3-benzyl-1-(2-cyanoethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]amino]propanenitrile Traditional Name: 3-[[3-benzyl-1-(2-cyanoethyl)-5-thioxo-1,2,4-triazol-4-yl]amino]propionitrile Formula: C15H16N6S MolecularWeight: 312.39274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=S)N2NCCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=S)N2NCCC#N)CCC#N

InChI

InChI=1S/C15H16N6S/c16-8-4-10-18-21-14(12-13-6-2-1-3-7-13)19-20(15(21)22)11-5-9-17/h1-3,6-7,18H,4-5,10-12H2