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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCCC3

InChI

InChI=1S/C15H20N4S/c1-12-7-3-4-8-13(12)14-16-19(15(20)17(14)2)11-18-9-5-6-10-18/h3-4,7-8H,5-6,9-11H2,1-2H3/p+1