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

Systemtic Name: 4-cyclopropyl-5-(thiophen-2-ylmethyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(2-thienylmethyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(thiophen-2-ylmethyl)-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-(thiophen-2-ylmethyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(2-thenyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H23N4S3+ MolecularWeight: 403.60772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CC4)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CC4)C5=CC=CS5

InChI

InChI=1S/C19H22N4S3/c24-19-22(13-21-9-1-5-16(21)17-6-3-11-26-17)20-18(23(19)14-7-8-14)12-15-4-2-10-25-15/h2-4,6,10-11,14,16H,1,5,7-9,12-13H2/p+1/t16-/m1/s1