2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-methoxy-5-nitro-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-methoxy-5-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-methoxy-5-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[(E)-(2-methoxy-5-nitro-benzylidene)amino]acetamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=O)CSCC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])/C=N/NC(=O)CSCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-25-16-6-5-15(21(23)24)8-13(16)9-19-20-17(22)11-26-10-12-3-2-4-14(18)7-12/h2-9H,10-11H2,1H3,(H,20,22)/b19-9+