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

Systemtic Name: 5-cyclopropyl-4-(phenylmethyl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-cyclopropyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-(phenylmethyl)-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-cyclopropyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-cyclopropyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H25N4S2+ MolecularWeight: 397.58

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H24N4S2/c26-21-24(14-16-6-2-1-3-7-16)20(17-10-11-17)22-25(21)15-23-12-4-8-18(23)19-9-5-13-27-19/h1-3,5-7,9,13,17-18H,4,8,10-12,14-15H2/p+1/t18-/m1/s1