N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-3-nitro-benzamide Formula: C14H13BrN2O3S2 MolecularWeight: 401.29862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCSCC2=CC=C(S2)Br

InChI

InChI=1S/C14H13BrN2O3S2/c15-13-5-4-12(22-13)9-21-7-6-16-14(18)10-2-1-3-11(8-10)17(19)20/h1-5,8H,6-7,9H2,(H,16,18)