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

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(3-thiophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(3-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=CSC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CSC=C2)C3=CC4=C(C=C3)OCO4

InChI

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