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

Systemtic Name: [3,5-dimethyl-5-oxidanyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanethione Openeye Name: (4-benzyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(p-tolyl)methanethione CAS Name: [5-hydroxy-3,5-dimethyl-4-(phenylmethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanethione IUPAC Name: (4-benzyl-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-methylphenyl)methanethione Traditional Name: (4-benzyl-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-(p-tolyl)methanethione Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N2C(C(C(=N2)C)CC3=CC=CC=C3)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2C(C(C(=N2)C)CC3=CC=CC=C3)(C)O

InChI

InChI=1S/C20H22N2OS/c1-14-9-11-17(12-10-14)19(24)22-20(3,23)18(15(2)21-22)13-16-7-5-4-6-8-16/h4-12,18,23H,13H2,1-3H3