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

Systemtic Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c1-25-17-11-9-16(10-12-17)19-21-20(26)24(22-19)14-23-13-5-8-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,22,26)/p+1/t18-/m0/s1