[4-(2,4-dimethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [4-(2,4-dimethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-(2,4-dimethylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium CAS Name: [4-(2,4-dimethylphenyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(2,4-dimethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-ethylazanium Traditional Name: benzyl-[[4-(2,4-dimethylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-ethyl-ammonium Formula: C25H28N5S+ MolecularWeight: 430.58832

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C25H27N5S/c1-4-28(17-21-9-6-5-7-10-21)18-29-25(31)30(23-13-12-19(2)15-20(23)3)24(27-29)22-11-8-14-26-16-22/h5-16H,4,17-18H2,1-3H3/p+1