3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: 3-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C12H20N4O2S MolecularWeight: 284.3778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC2CCCCNC2=O

Isomeric SMILES

CCCCN1C(=O)NN=C1SC2CCCCNC2=O

InChI

InChI=1S/C12H20N4O2S/c1-2-3-8-16-11(18)14-15-12(16)19-9-6-4-5-7-13-10(9)17/h9H,2-8H2,1H3,(H,13,17)(H,14,18)