[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: [4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C=N2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C=N2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H24N4S/c1-4-22(13-18-8-6-5-7-9-18)15-24-20(25)23(14-21-24)19-11-10-16(2)12-17(19)3/h5-12,14H,4,13,15H2,1-3H3/p+1