N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethyl]-3,5-dinitro-benzamide Formula: C21H18BrN3O6S MolecularWeight: 520.35312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN3O6S/c1-31-20-5-2-13-8-15(22)3-4-18(13)19(20)12-32-7-6-23-21(26)14-9-16(24(27)28)11-17(10-14)25(29)30/h2-5,8-11H,6-7,12H2,1H3,(H,23,26)