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

Systemtic Name: methyl-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[3-methyl-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: methyl-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-methyl-4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-methyl-4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C19H23N4S+ MolecularWeight: 339.47772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4S/c1-15-9-7-8-12-18(15)23-16(2)20-22(19(23)24)14-21(3)13-17-10-5-4-6-11-17/h4-12H,13-14H2,1-3H3/p+1