2-[ethyl(prop-2-ynyl)carbamoyl]-5-piperidin-1-yl-1,2,4-triazole-3-sulfinate

Systemtic Name: 2-[ethyl(prop-2-ynyl)carbamoyl]-5-piperidin-1-yl-1,2,4-triazole-3-sulfinate Openeye Name: 2-[ethyl(prop-2-ynyl)carbamoyl]-5-(1-piperidyl)-1,2,4-triazole-3-sulfinate CAS Name: 2-[[ethyl(prop-2-ynyl)amino]-oxomethyl]-5-(1-piperidinyl)-1,2,4-triazole-3-sulfinate IUPAC Name: 2-[ethyl(prop-2-ynyl)carbamoyl]-5-piperidin-1-yl-1,2,4-triazole-3-sulfinate Traditional Name: 2-[ethyl(propargyl)carbamoyl]-5-piperidino-1,2,4-triazole-3-sulfinate Formula: C13H18N5O3S- MolecularWeight: 324.37872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC#C)C(=O)N1C(=NC(=N1)N2CCCCC2)S(=O)[O-]

Isomeric SMILES

CCN(CC#C)C(=O)N1C(=NC(=N1)N2CCCCC2)S(=O)[O-]

InChI

InChI=1S/C13H19N5O3S/c1-3-8-16(4-2)13(19)18-12(22(20)21)14-11(15-18)17-9-6-5-7-10-17/h1H,4-10H2,2H3,(H,20,21)/p-1