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

Systemtic Name: bis(2-cyanoethyl)-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: bis(2-cyanoethyl)-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: bis(2-cyanoethyl)-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: bis(2-cyanoethyl)-[[4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C23H25N6S+ MolecularWeight: 417.5498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6S/c1-18-10-11-21(16-19(18)2)29-22(20-8-4-3-5-9-20)26-28(23(29)30)17-27(14-6-12-24)15-7-13-25/h3-5,8-11,16H,6-7,14-15,17H2,1-2H3/p+1