1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone hydrochloride

Systemtic Name: 1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone hydrochloride Openeye Name: 1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone hydrochloride CAS Name: 1-(1-azepanyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone hydrochloride IUPAC Name: 1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone hydrochloride Traditional Name: 1-(azepan-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone hydrochloride Formula: C11H19ClN4OS MolecularWeight: 290.81276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)N2CCCCCC2.Cl

Isomeric SMILES

CN1C=NN=C1SCC(=O)N2CCCCCC2.Cl

InChI

InChI=1S/C11H18N4OS.ClH/c1-14-9-12-13-11(14)17-8-10(16)15-6-4-2-3-5-7-15;/h9H,2-8H2,1H3;1H