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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCCC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)C[NH+]3CCC[C@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4S/c1-16-10-12-19(13-11-16)25-17(2)22-24(21(25)26)15-23-14-6-9-20(23)18-7-4-3-5-8-18/h3-5,7-8,10-13,20H,6,9,14-15H2,1-2H3/p+1/t20-/m0/s1