5-chloranyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one

Systemtic Name: 5-chloranyl-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one Openeye Name: 5-chloro-2-(2-phenyl-1-sulfanyl-ethyl)-1H-pyrazol-3-one CAS Name: 5-chloro-2-(1-mercapto-2-phenylethyl)-1H-pyrazol-3-one IUPAC Name: 5-chloro-2-(2-phenyl-1-sulfanylethyl)-1H-pyrazol-3-one Traditional Name: 5-chloro-2-(1-mercapto-2-phenyl-ethyl)-3-pyrazolin-3-one Formula: C11H11ClN2OS MolecularWeight: 254.73584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(N2C(=O)C=C(N2)Cl)S

Isomeric SMILES

C1=CC=C(C=C1)CC(N2C(=O)C=C(N2)Cl)S

InChI

InChI=1S/C11H11ClN2OS/c12-9-7-10(15)14(13-9)11(16)6-8-4-2-1-3-5-8/h1-5,7,11,13,16H,6H2