2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4,5,6-trimethyl-nicotinamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC3=C(C=C2Br)OCCO3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC3=C(C=C2Br)OCCO3)C

InChI

InChI=1S/C18H19BrN2O3S/c1-9-10(2)16(17(20)22)18(21-11(9)3)25-8-12-6-14-15(7-13(12)19)24-5-4-23-14/h6-7H,4-5,8H2,1-3H3,(H2,20,22)