1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-phenyl-ethanethione

Systemtic Name: 1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-phenyl-ethanethione Openeye Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-phenyl-ethanethione CAS Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-phenylethanethione IUPAC Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-phenylethanethione Traditional Name: 1-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-2-phenyl-ethanethione Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2OS/c1-10-9-13(2,16)15(14-10)12(17)8-11-6-4-3-5-7-11/h3-7,16H,8-9H2,1-2H3