1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(3-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(3-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(3-methyl-2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(3-methyl-2-thiophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(3-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(1,3-benzodioxol-5-yl)-5-(3-methyl-2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2CC(=NN2C(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC=C1)[C@@H]2CC(=NN2C(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N2O3S/c1-10-5-6-23-17(10)14-8-13(18-19(14)11(2)20)12-3-4-15-16(7-12)22-9-21-15/h3-7,14H,8-9H2,1-2H3/t14-/m0/s1