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

Systemtic Name: 2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-(2,2-dimethyltetrahydrothiopyran-4-yl)-5-phenyl-4H-pyrazol-3-one CAS Name: 2-(2,2-dimethyl-4-thianyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-(2,2-dimethyltetrahydrothiopyran-4-yl)-5-phenyl-2-pyrazolin-3-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS/c1-16(2)11-13(8-9-20-16)18-15(19)10-14(17-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3