bis(2-cyanoethyl)-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium

Systemtic Name: bis(2-cyanoethyl)-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Openeye Name: bis(2-cyanoethyl)-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: bis(2-cyanoethyl)-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Traditional Name: bis(2-cyanoethyl)-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C16H19N6S+ MolecularWeight: 327.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C16H18N6S/c1-13-4-6-14(7-5-13)15-19-16(23)22(20-15)12-21(10-2-8-17)11-3-9-18/h4-7H,2-3,10-12H2,1H3,(H,19,20,23)/p+1