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

Systemtic Name: 2-ethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S)-3-phenyl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 2-ethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 2-ethyl-1-[(5S)-5-phenyl-3-(2-thienyl)-2-pyrazolin-1-yl]butan-1-one Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2OS/c1-3-14(4-2)19(22)21-17(15-9-6-5-7-10-15)13-16(20-21)18-11-8-12-23-18/h5-12,14,17H,3-4,13H2,1-2H3/t17-/m0/s1