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

Systemtic Name: 2-cyanoethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[[4-(2-isopropylphenyl)-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 2-cyanoethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 2-cyanoethyl-[[3-(4-methoxyphenyl)-4-o-cumenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5OS/c1-17(2)20-8-5-6-9-21(20)28-22(18-10-12-19(29-4)13-11-18)25-27(23(28)30)16-26(3)15-7-14-24/h5-6,8-13,17H,7,15-16H2,1-4H3/p+1