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

Systemtic Name: 3-[2-cyanoethyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C16H19N7S MolecularWeight: 341.43396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(CCC#N)CCC#N)C2=CC=NC=C2

Isomeric SMILES

CCN1C(=NN(C1=S)CN(CCC#N)CCC#N)C2=CC=NC=C2

InChI

InChI=1S/C16H19N7S/c1-2-22-15(14-5-9-19-10-6-14)20-23(16(22)24)13-21(11-3-7-17)12-4-8-18/h5-6,9-10H,2-4,11-13H2,1H3