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

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H20ClN4OS2+ MolecularWeight: 407.9606

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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=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C18H19ClN4OS2/c1-24-15-7-6-12(19)10-13(15)17-20-18(25)23(21-17)11-22-8-2-4-14(22)16-5-3-9-26-16/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,20,21,25)/p+1/t14-/m1/s1