4-methyl-5-(2-methylphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(2-methylphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(o-tolyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(2-methylphenyl)-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(2-methylphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(o-tolyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-16-9-6-7-12-18(16)20-22-25(21(26)23(20)2)15-24-14-8-13-19(24)17-10-4-3-5-11-17/h3-7,9-12,19H,8,13-15H2,1-2H3/p+1/t19-/m0/s1