5-(tert-butylsulfanylmethyl)-4-chloranyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-(tert-butylsulfanylmethyl)-4-chloranyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-4-chloro-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[(tert-butylthio)methyl]-4-chloro-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-(tert-butylsulfanylmethyl)-4-chloro-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-4-chloro-2-phenyl-3-pyrazolin-3-one Formula: C14H17ClN2OS MolecularWeight: 296.81558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C(=O)N(N1)C2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)SCC1=C(C(=O)N(N1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C14H17ClN2OS/c1-14(2,3)19-9-11-12(15)13(18)17(16-11)10-7-5-4-6-8-10/h4-8,16H,9H2,1-3H3