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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C16H14N2O3S/c1-10(19)18-13(16-3-2-6-22-16)8-12(17-18)11-4-5-14-15(7-11)21-9-20-14/h2-7,13H,8-9H2,1H3