4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-(1-pyrrolidin-1-iumylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C12H17N4S2+ MolecularWeight: 281.42018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=CS3

InChI

InChI=1S/C12H16N4S2/c1-14-11(10-5-4-8-18-10)13-16(12(14)17)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3/p+1