N-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine

Systemtic Name: N-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Openeye Name: N-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine CAS Name: N-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-3-nitro-1H-pyrrol-2-amine IUPAC Name: N-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Traditional Name: 2-[(3-bromo-2-pyridyl)methylthio]ethyl-(3-nitro-1H-pyrrol-2-yl)amine Formula: C12H13BrN4O2S MolecularWeight: 357.22622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H13BrN4O2S/c13-9-2-1-4-14-10(9)8-20-7-6-16-12-11(17(18)19)3-5-15-12/h1-5,15-16H,6-8H2