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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[1-(4-imidazol-1-ylphenyl)ethyl]nicotinamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H22N4O3S/c1-17(18-4-6-19(7-5-18)29-12-11-26-16-29)28-24(30)21-3-2-10-27-25(21)33-20-8-9-22-23(15-20)32-14-13-31-22/h2-12,15-17H,13-14H2,1H3,(H,28,30)