[(5S)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-phenyl-methanethione

Systemtic Name: [(5S)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]-phenyl-methanethione Openeye Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-phenyl-methanethione CAS Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanethione IUPAC Name: [(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanethione Traditional Name: [(5S)-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]-phenyl-methanethione Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN([C@@](C1)(C)O)C(=S)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2OS/c1-9-8-12(2,15)14(13-9)11(16)10-6-4-3-5-7-10/h3-7,15H,8H2,1-2H3/t12-/m0/s1