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

Systemtic Name: 2-cyanoethyl-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: 2-cyanoethyl-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: 2-cyanoethyl-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H24N5S+ MolecularWeight: 378.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+](C)CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+](C)CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5S/c1-16-10-11-19(14-17(16)2)26-20(18-8-5-4-6-9-18)23-25(21(26)27)15-24(3)13-7-12-22/h4-6,8-11,14H,7,13,15H2,1-3H3/p+1