bis(2-cyanoethyl)-[[3-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: bis(2-cyanoethyl)-[[3-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: bis(2-cyanoethyl)-[[3-(2,4-dichlorophenyl)-4-(2-isopropylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: bis(2-cyanoethyl)-[[3-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[[3-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: bis(2-cyanoethyl)-[[3-(2,4-dichlorophenyl)-4-o-cumenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C24H25Cl2N6S+ MolecularWeight: 500.4665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+](CCC#N)CCC#N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN(C2=S)C[NH+](CCC#N)CCC#N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H24Cl2N6S/c1-17(2)19-7-3-4-8-22(19)32-23(20-10-9-18(25)15-21(20)26)29-31(24(32)33)16-30(13-5-11-27)14-6-12-28/h3-4,7-10,15,17H,5-6,13-14,16H2,1-2H3/p+1