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

Systemtic Name: 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-methyl-5-[(phenylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-5-[(phenylthio)methyl]-3-pyrazolin-3-one Formula: C11H12N2OS MolecularWeight: 220.29078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)CSC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C=C(N1)CSC2=CC=CC=C2

InChI

InChI=1S/C11H12N2OS/c1-13-11(14)7-9(12-13)8-15-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3