5-azanyl-4-methyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-methyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one Openeye Name: 5-amino-4-methyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one CAS Name: 5-amino-2-(1-mercapto-2-phenylethyl)-4-methyl-1H-pyrazol-3-one IUPAC Name: 5-amino-4-methyl-2-(2-phenyl-1-sulfanylethyl)-1H-pyrazol-3-one Traditional Name: 5-amino-2-(1-mercapto-2-phenyl-ethyl)-4-methyl-3-pyrazolin-3-one Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)C(CC2=CC=CC=C2)S)N

Isomeric SMILES

CC1=C(NN(C1=O)C(CC2=CC=CC=C2)S)N

InChI

InChI=1S/C12H15N3OS/c1-8-11(13)14-15(12(8)16)10(17)7-9-5-3-2-4-6-9/h2-6,10,14,17H,7,13H2,1H3