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

Systemtic Name: 5-(4-methylphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[[(2S)-2-phenyl-1-pyrrolidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-phenylpyrrolidino]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCCC3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C20H22N4S/c1-15-9-11-17(12-10-15)19-21-20(25)24(22-19)14-23-13-5-8-18(23)16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,22,25)/t18-/m0/s1