4-methyl-5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(4-methylphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCCC3

InChI

InChI=1S/C15H20N4S/c1-12-5-7-13(8-6-12)14-16-19(15(20)17(14)2)11-18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3/p+1