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

Systemtic Name: 2-cyanoethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-cyanoethyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-cyanoethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-cyanoethyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-cyanoethyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C13H17N6S+ MolecularWeight: 289.37928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](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/p+1