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

Systemtic Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-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-propan-2-yl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-propan-2-yl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H27N4OS2+ MolecularWeight: 415.59528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N4OS2/c1-15(2)25-20(16-8-10-17(26-3)11-9-16)22-24(21(25)27)14-23-12-4-6-18(23)19-7-5-13-28-19/h5,7-11,13,15,18H,4,6,12,14H2,1-3H3/p+1/t18-/m1/s1