3-methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one

Systemtic Name: 3-methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one Openeye Name: 3-methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one CAS Name: 3-methyl-4-(phenylthio)-1,4-dihydropyrazol-5-one IUPAC Name: 3-methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one Traditional Name: 5-methyl-4-(phenylthio)-2-pyrazolin-3-one Formula: C10H10N2OS MolecularWeight: 206.2642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1SC2=CC=CC=C2

Isomeric SMILES

CC1=NNC(=O)C1SC2=CC=CC=C2

InChI

InChI=1S/C10H10N2OS/c1-7-9(10(13)12-11-7)14-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)