bis(2-cyanoethyl)-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: bis(2-cyanoethyl)-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: bis(2-cyanoethyl)-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: bis(2-cyanoethyl)-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[(4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: bis(2-cyanoethyl)-[(4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C12H17N6S+ MolecularWeight: 277.36858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=S)C[NH+](CCC#N)CCC#N

Isomeric SMILES

C1CC1N2C=NN(C2=S)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C12H16N6S/c13-5-1-7-16(8-2-6-14)10-18-12(19)17(9-15-18)11-3-4-11/h9,11H,1-4,7-8,10H2/p+1