1-(azepan-1-yl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C19H26N4OS2 MolecularWeight: 390.56594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CSC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CSC3=CC=CC=C3

InChI

InChI=1S/C19H26N4OS2/c1-2-23-17(14-25-16-10-6-5-7-11-16)20-21-19(23)26-15-18(24)22-12-8-3-4-9-13-22/h5-7,10-11H,2-4,8-9,12-15H2,1H3