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

Systemtic Name: bis(2-cyanoethyl)-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: bis(2-cyanoethyl)-[[4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: bis(2-cyanoethyl)-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[[4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: bis(2-cyanoethyl)-[[4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C20H27N6S2+ MolecularWeight: 415.59858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+](CCC#N)CCC#N)CC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+](CCC#N)CCC#N)CC3=CC=CS3

InChI

InChI=1S/C20H26N6S2/c21-10-5-12-24(13-6-11-22)16-25-20(27)26(17-7-2-1-3-8-17)19(23-25)15-18-9-4-14-28-18/h4,9,14,17H,1-3,5-8,12-13,15-16H2/p+1