2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-imidazol-1-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-imidazol-1-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-imidazol-1-ylphenyl)pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[4-(1-imidazolyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-imidazol-1-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(4-imidazol-1-ylphenyl)nicotinamide Formula: C23H18N4O3S MolecularWeight: 430.47902

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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=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C23H18N4O3S/c28-22(26-16-3-5-17(6-4-16)27-11-10-24-15-27)19-2-1-9-25-23(19)31-18-7-8-20-21(14-18)30-13-12-29-20/h1-11,14-15H,12-13H2,(H,26,28)