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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS/c1-26-18-10-9-15(21)12-16(18)19-22-20(27)25(23-19)13-24-11-5-8-17(24)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3,(H,22,23,27)/p+1/t17-/m0/s1