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

Systemtic Name: [3,5-dimethyl-5-oxidanyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-phenyl-methanethione Openeye Name: (4-benzyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenyl-methanethione CAS Name: [5-hydroxy-3,5-dimethyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-phenylmethanethione IUPAC Name: (4-benzyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanethione Traditional Name: (4-benzyl-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-phenyl-methanethione Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1CC2=CC=CC=C2)(C)O)C(=S)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(C1CC2=CC=CC=C2)(C)O)C(=S)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2OS/c1-14-17(13-15-9-5-3-6-10-15)19(2,22)21(20-14)18(23)16-11-7-4-8-12-16/h3-12,17,22H,13H2,1-2H3