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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(phenylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(phenylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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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=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3S/c29-23(27-22-10-12-26-28(22)16-17-5-2-1-3-6-17)19-7-4-11-25-24(19)32-18-8-9-20-21(15-18)31-14-13-30-20/h1-12,15H,13-14,16H2,(H,27,29)