N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[(4-nitrobenzyl)thio]acetamide Formula: C17H14BrN3O5S MolecularWeight: 452.27916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN3O5S/c18-14-6-16-15(25-10-26-16)5-12(14)7-19-20-17(22)9-27-8-11-1-3-13(4-2-11)21(23)24/h1-7H,8-10H2,(H,20,22)/b19-7+