2-(2,2-dimethylthian-4-yl)-5-phenyl-4-(phenylmethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(2,2-dimethylthian-4-yl)-5-phenyl-4-(phenylmethyl)-4H-pyrazol-3-one Openeye Name: 4-benzyl-2-(2,2-dimethyltetrahydrothiopyran-4-yl)-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(2,2-dimethyl-4-thianyl)-5-phenyl-4-(phenylmethyl)-4H-pyrazol-3-one IUPAC Name: 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 4-benzyl-2-(2,2-dimethyltetrahydrothiopyran-4-yl)-5-phenyl-2-pyrazolin-3-one Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCS1)N2C(=O)C(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CCS1)N2C(=O)C(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2OS/c1-23(2)16-19(13-14-27-23)25-22(26)20(15-17-9-5-3-6-10-17)21(24-25)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3