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

Systemtic Name: methyl-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: methyl-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: benzyl-methyl-[[4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4S/c1-15-8-6-7-11-17(15)21-13-19-22(18(21)23)14-20(2)12-16-9-4-3-5-10-16/h3-11,13H,12,14H2,1-2H3/p+1