5-(2-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-(2-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-(2-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-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-(2-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-(2-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H25N4OS2+ MolecularWeight: 413.5794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-3-12-24-20(16-8-4-5-10-18(16)26-2)22-25(21(24)27)15-23-13-6-9-17(23)19-11-7-14-28-19/h3-5,7-8,10-11,14,17H,1,6,9,12-13,15H2,2H3/p+1/t17-/m1/s1