3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium

Systemtic Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium Openeye Name: 3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propylammonium CAS Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propylammonium IUPAC Name: 3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propylazanium Traditional Name: 3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propylammonium Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCC[NH3+]

InChI

InChI=1S/C13H18N4S/c1-10-6-3-4-7-11(10)12-15-16-13(17(12)2)18-9-5-8-14/h3-4,6-7H,5,8-9,14H2,1-2H3/p+1