2-methyl-1H-pyrazol-5-one; thietane 1-oxide

Systemtic Name: 2-methyl-1H-pyrazol-5-one; thietane 1-oxide Openeye Name: 2-methyl-1H-pyrazol-5-one; thietane 1-oxide CAS Name: 2-methyl-1H-pyrazol-5-one; thietane 1-oxide IUPAC Name: 2-methyl-1H-pyrazol-5-one; thietane 1-oxide Traditional Name: 1-methyl-3-pyrazolin-3-one; thietane 1-oxide Formula: C7H12N2O2S MolecularWeight: 188.24738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=O)N1.C1CS(=O)C1

Isomeric SMILES

CN1C=CC(=O)N1.C1CS(=O)C1

InChI

InChI=1S/C4H6N2O.C3H6OS/c1-6-3-2-4(7)5-6;4-5-2-1-3-5/h2-3H,1H3,(H,5,7);1-3H2