2-tert-butyl-5-methyl-4-phenylsulfanyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-methyl-4-phenylsulfanyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-methyl-4-phenylsulfanyl-1H-pyrazol-3-one CAS Name: 2-tert-butyl-5-methyl-4-(phenylthio)-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-methyl-4-phenylsulfanyl-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolin-3-one Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)N(N1)C(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-10-12(18-11-8-6-5-7-9-11)13(17)16(15-10)14(2,3)4/h5-9,15H,1-4H3