5-[(4-chlorophenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-3-pyrazolin-3-one Formula: C10H9ClN2OS MolecularWeight: 240.70926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=CC(=O)NN2)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC2=CC(=O)NN2)Cl

InChI

InChI=1S/C10H9ClN2OS/c11-7-1-3-9(4-2-7)15-6-8-5-10(14)13-12-8/h1-5H,6H2,(H2,12,13,14)