N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethyl]-4-nitro-benzamide Formula: C21H19BrN2O4S MolecularWeight: 475.35556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4S/c1-28-20-9-4-15-12-16(22)5-8-18(15)19(20)13-29-11-10-23-21(25)14-2-6-17(7-3-14)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,23,25)