3-(phenylsulfanylmethyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-(phenylsulfanylmethyl)-1,4-dihydropyrazol-5-one Openeye Name: 3-(phenylsulfanylmethyl)-1,4-dihydropyrazol-5-one CAS Name: 3-[(phenylthio)methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-(phenylsulfanylmethyl)-1,4-dihydropyrazol-5-one Traditional Name: 5-[(phenylthio)methyl]-2-pyrazolin-3-one Formula: C10H10N2OS MolecularWeight: 206.2642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1=O)CSC2=CC=CC=C2

Isomeric SMILES

C1C(=NNC1=O)CSC2=CC=CC=C2

InChI

InChI=1S/C10H10N2OS/c13-10-6-8(11-12-10)7-14-9-4-2-1-3-5-9/h1-5H,6-7H2,(H,12,13)