N-(1,3-benzodioxol-5-yl)-3-[3,4-bis(fluoranyl)phenyl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[3,4-bis(fluoranyl)phenyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(3,4-difluorophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3,4-difluorophenyl)thio]propionamide Formula: C16H13F2NO3S MolecularWeight: 337.341126

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H13F2NO3S/c17-12-3-2-11(8-13(12)18)23-6-5-16(20)19-10-1-4-14-15(7-10)22-9-21-14/h1-4,7-8H,5-6,9H2,(H,19,20)