2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-(3-cyanophenyl)acetamide Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSCC(=O)NC3=CC=CC(=C3)C#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSCC(=O)NC3=CC=CC(=C3)C#N)Br

InChI

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