3-ethyl-4-(phenylmethylsulfanyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-ethyl-4-(phenylmethylsulfanyl)-1,4-dihydropyrazol-5-one Openeye Name: 4-benzylsulfanyl-3-ethyl-1,4-dihydropyrazol-5-one CAS Name: 3-ethyl-4-(phenylmethylthio)-1,4-dihydropyrazol-5-one IUPAC Name: 4-benzylsulfanyl-3-ethyl-1,4-dihydropyrazol-5-one Traditional Name: 4-(benzylthio)-5-ethyl-2-pyrazolin-3-one Formula: C12H14N2OS MolecularWeight: 234.31736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=O)C1SCC2=CC=CC=C2

Isomeric SMILES

CCC1=NNC(=O)C1SCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2OS/c1-2-10-11(12(15)14-13-10)16-8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,14,15)