4-(2-methylphenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methylphenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(o-tolyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methylphenyl)-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylphenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(o-tolyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H21N4S2+ MolecularWeight: 357.51614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C18H20N4S2/c1-14-6-2-3-7-15(14)21-12-19-22(18(21)23)13-20-10-4-8-16(20)17-9-5-11-24-17/h2-3,5-7,9,11-12,16H,4,8,10,13H2,1H3/p+1/t16-/m1/s1