5-butyl-3-[(phenylmethylsulfanyl)methyl]-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-butyl-3-[(phenylmethylsulfanyl)methyl]-4,5-dihydro-1,2-oxazole Openeye Name: 3-(benzylsulfanylmethyl)-5-butyl-4,5-dihydroisoxazole CAS Name: 5-butyl-3-[(phenylmethylthio)methyl]-4,5-dihydroisoxazole IUPAC Name: 3-(benzylsulfanylmethyl)-5-butyl-4,5-dihydro-1,2-oxazole Traditional Name: 3-[(benzylthio)methyl]-5-butyl-2-isoxazoline Formula: C15H21NOS MolecularWeight: 263.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=NO1)CSCC2=CC=CC=C2

Isomeric SMILES

CCCCC1CC(=NO1)CSCC2=CC=CC=C2

InChI

InChI=1S/C15H21NOS/c1-2-3-9-15-10-14(16-17-15)12-18-11-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3