2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-furylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(2-furanylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(2-furfuryl)pyrazol-3-yl]nicotinamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=NN4CC5=CC=CO5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=NN4CC5=CC=CO5

InChI

InChI=1S/C22H18N4O4S/c27-21(25-20-7-9-24-26(20)14-15-3-2-10-28-15)17-4-1-8-23-22(17)31-16-5-6-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12,14H2,(H,25,27)