N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(cyanomethylsulfanyl)benzamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(cyanomethylsulfanyl)benzamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(cyanomethylsulfanyl)benzamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(cyanomethylthio)benzamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(cyanomethylsulfanyl)benzamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(cyanomethylthio)benzamide Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C17H13BrN2O3S/c18-12-9-14-15(23-7-6-22-14)10-13(12)20-17(21)11-3-1-2-4-16(11)24-8-5-19/h1-4,9-10H,6-8H2,(H,20,21)