3-[4-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-1-(1-pyrrolidin-1-iumylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-1-(pyrrolidin-1-ium-1-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C11H20N5OS+ MolecularWeight: 270.3744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCCC2)CCC(=O)N

InChI

InChI=1S/C11H19N5OS/c1-14-10(5-4-9(12)17)13-16(11(14)18)8-15-6-2-3-7-15/h2-8H2,1H3,(H2,12,17)/p+1