N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(cyanomethylsulfanyl)benzamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(cyanomethylsulfanyl)benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzamide CAS Name: 2-(cyanomethylthio)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzamide Traditional Name: 2-(cyanomethylthio)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzamide Formula: C16H10F2N2O3S MolecularWeight: 348.324006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(O3)(F)F)SCC#N

InChI

InChI=1S/C16H10F2N2O3S/c17-16(18)22-12-6-5-10(9-13(12)23-16)20-15(21)11-3-1-2-4-14(11)24-8-7-19/h1-6,9H,8H2,(H,20,21)