N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(phenylthio)nicotinamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S/c24-20(23-13-15-14-25-18-10-4-5-11-19(18)26-15)17-9-6-12-22-21(17)27-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,23,24)