N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(p-tolylthio)nicotinamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H18N2O3S/c1-14-4-7-16(8-5-14)27-21-17(3-2-10-22-21)20(24)23-15-6-9-18-19(13-15)26-12-11-25-18/h2-10,13H,11-12H2,1H3,(H,23,24)