N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC3=C(C=C2Br)OCCO3)C

InChI

InChI=1S/C19H18BrN3O3S/c1-10-11(2)13(8-21)19(22-12(10)3)27-9-18(24)23-15-7-17-16(6-14(15)20)25-4-5-26-17/h6-7H,4-5,9H2,1-3H3,(H,23,24)