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

Systemtic Name: methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]azanium Traditional Name: benzyl-methyl-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=CC=CC=C3

InChI

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