3-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H23N5O2S MolecularWeight: 325.42972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCCC2)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCCC2)CCC(=O)N

InChI

InChI=1S/C14H23N5O2S/c1-18-12(7-6-11(15)20)16-17-14(18)22-10-13(21)19-8-4-2-3-5-9-19/h2-10H2,1H3,(H2,15,20)