2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methyl-2-oxidanyl-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methyl-2-oxidanyl-phenyl)pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-hydroxy-4-methyl-phenyl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-hydroxy-4-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(2-hydroxy-4-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(2-hydroxy-4-methyl-phenyl)nicotinamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C21H18N2O4S/c1-13-4-6-16(17(24)11-13)23-20(25)15-3-2-8-22-21(15)28-14-5-7-18-19(12-14)27-10-9-26-18/h2-8,11-12,24H,9-10H2,1H3,(H,23,25)