2,2-dimethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[(3S)-3-phenyl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[(5S)-5-phenyl-3-(2-thienyl)-2-pyrazolin-1-yl]propan-1-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1[C@@H](CC(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2OS/c1-18(2,3)17(21)20-15(13-8-5-4-6-9-13)12-14(19-20)16-10-7-11-22-16/h4-11,15H,12H2,1-3H3/t15-/m0/s1