2-methyl-5-(methylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-methyl-5-(methylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-methyl-5-(methylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-methyl-5-[(methylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-5-(methylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-5-[(methylthio)methyl]-3-pyrazolin-3-one Formula: C6H10N2OS MolecularWeight: 158.2214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)CSC

Isomeric SMILES

CN1C(=O)C=C(N1)CSC

InChI

InChI=1S/C6H10N2OS/c1-8-6(9)3-5(7-8)4-10-2/h3,7H,4H2,1-2H3