3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one Openeye Name: 3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one CAS Name: 4-(2-mercaptoethyl)-3-methyl-1,4-dihydropyrazol-5-one IUPAC Name: 3-methyl-4-(2-sulfanylethyl)-1,4-dihydropyrazol-5-one Traditional Name: 4-(2-mercaptoethyl)-5-methyl-2-pyrazolin-3-one Formula: C6H10N2OS MolecularWeight: 158.2214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1CCS

Isomeric SMILES

CC1=NNC(=O)C1CCS

InChI

InChI=1S/C6H10N2OS/c1-4-5(2-3-10)6(9)8-7-4/h5,10H,2-3H2,1H3,(H,8,9)