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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4,5,6-trimethyl-nicotinamide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C17H17BrN2O3S/c1-8-9(2)15(16(19)21)17(20-10(8)3)24-6-11-4-13-14(5-12(11)18)23-7-22-13/h4-5H,6-7H2,1-3H3,(H2,19,21)