2-[2-[(4-nitro-2,3-dihydro-1H-pyrrol-5-yl)amino]ethylsulfanylmethyl]pyridin-3-amine

Systemtic Name: 2-[2-[(4-nitro-2,3-dihydro-1H-pyrrol-5-yl)amino]ethylsulfanylmethyl]pyridin-3-amine Openeye Name: 2-[2-[(4-nitro-2,3-dihydro-1H-pyrrol-5-yl)amino]ethylsulfanylmethyl]pyridin-3-amine CAS Name: 2-[[2-[(4-nitro-2,3-dihydro-1H-pyrrol-5-yl)amino]ethylthio]methyl]-3-pyridinamine IUPAC Name: 2-[2-[(4-nitro-2,3-dihydro-1H-pyrrol-5-yl)amino]ethylsulfanylmethyl]pyridin-3-amine Traditional Name: 2-[(3-amino-2-pyridyl)methylthio]ethyl-(3-nitro-2-pyrrolin-2-yl)amine Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C1[N+](=O)[O-])NCCSCC2=C(C=CC=N2)N

Isomeric SMILES

C1CNC(=C1[N+](=O)[O-])NCCSCC2=C(C=CC=N2)N

InChI

InChI=1S/C12H17N5O2S/c13-9-2-1-4-14-10(9)8-20-7-6-16-12-11(17(18)19)3-5-15-12/h1-2,4,15-16H,3,5-8,13H2