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

Systemtic Name: 4-methyl-5-thiophen-2-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(2-thienyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-thiophen-2-yl-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-thiophen-2-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(2-thienyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H19N4S3+ MolecularWeight: 363.54386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C16H18N4S3/c1-18-15(14-7-4-10-23-14)17-20(16(18)21)11-19-8-2-5-12(19)13-6-3-9-22-13/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3/p+1/t12-/m0/s1