phenyl-(3,4,5-trimethyl-5-oxidanyl-4H-pyrazol-1-yl)methanethione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=NN(C1(C)O)C(=S)C2=CC=CC=C2)C

Isomeric SMILES

CC1C(=NN(C1(C)O)C(=S)C2=CC=CC=C2)C

InChI

InChI=1S/C13H16N2OS/c1-9-10(2)14-15(13(9,3)16)12(17)11-7-5-4-6-8-11/h4-9,16H,1-3H3