N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O4S/c1-13-17(14(2)28-24-13)12-29-21-16(4-3-7-22-21)20(25)23-11-15-5-6-18-19(10-15)27-9-8-26-18/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,25)