5-(4-methoxyphenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-prop-2-enyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-3-12-24-20(16-8-10-17(26-2)11-9-16)22-25(21(24)27)15-23-13-4-6-18(23)19-7-5-14-28-19/h3,5,7-11,14,18H,1,4,6,12-13,15H2,2H3/p+1/t18-/m1/s1