N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(phenylthio)nicotinamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

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