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

Systemtic Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-azanium Openeye Name: [4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-ammonium CAS Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methylammonium IUPAC Name: [4-(4-chlorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methylazanium Traditional Name: [4-(4-chlorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2-cyanoethyl)-methyl-ammonium Formula: C18H18ClN6S+ MolecularWeight: 385.89372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](CCC#N)CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6S/c1-23(12-2-9-20)13-24-18(26)25(16-5-3-15(19)4-6-16)17(22-24)14-7-10-21-11-8-14/h3-8,10-11H,2,12-13H2,1H3/p+1