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

Systemtic Name: 3-(methoxymethyl)-4-(phenylmethylsulfanyl)-1,4-dihydropyrazol-5-one Openeye Name: 4-benzylsulfanyl-3-(methoxymethyl)-1,4-dihydropyrazol-5-one CAS Name: 3-(methoxymethyl)-4-(phenylmethylthio)-1,4-dihydropyrazol-5-one IUPAC Name: 4-benzylsulfanyl-3-(methoxymethyl)-1,4-dihydropyrazol-5-one Traditional Name: 4-(benzylthio)-5-(methoxymethyl)-2-pyrazolin-3-one Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NNC(=O)C1SCC2=CC=CC=C2

Isomeric SMILES

COCC1=NNC(=O)C1SCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S/c1-16-7-10-11(12(15)14-13-10)17-8-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,14,15)