3-methyl-1-(2-sulfanylideneazepan-1-yl)but-3-en-1-one

Systemtic Name: 3-methyl-1-(2-sulfanylideneazepan-1-yl)but-3-en-1-one Openeye Name: 3-methyl-1-(2-thioxoazepan-1-yl)but-3-en-1-one CAS Name: 3-methyl-1-(2-sulfanylidene-1-azepanyl)-3-buten-1-one IUPAC Name: 3-methyl-1-(2-sulfanylideneazepan-1-yl)but-3-en-1-one Traditional Name: 3-methyl-1-(2-thioxoazepan-1-yl)but-3-en-1-one Formula: C11H17NOS MolecularWeight: 211.32378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(=O)N1CCCCCC1=S

Isomeric SMILES

CC(=C)CC(=O)N1CCCCCC1=S

InChI

InChI=1S/C11H17NOS/c1-9(2)8-10(13)12-7-5-3-4-6-11(12)14/h1,3-8H2,2H3