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

Systemtic Name: 3-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(3-pyridylmethyl)amino]propionitrile Formula: C13H16N6S MolecularWeight: 288.37134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)CN(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CN1C=NN(C1=S)CN(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C13H16N6S/c1-17-10-16-19(13(17)20)11-18(7-3-5-14)9-12-4-2-6-15-8-12/h2,4,6,8,10H,3,7,9,11H2,1H3