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

Systemtic Name: methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C12H18N5S+ MolecularWeight: 264.36982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](C)CCC2=CC=CC=N2

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](C)CCC2=CC=CC=N2

InChI

InChI=1S/C12H17N5S/c1-15(8-6-11-5-3-4-7-13-11)10-17-12(18)16(2)9-14-17/h3-5,7,9H,6,8,10H2,1-2H3/p+1