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

Systemtic Name: N-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Openeye Name: N-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine CAS Name: N-[2-[(3-methoxy-2-pyridinyl)methylthio]ethyl]-3-nitro-1H-pyrrol-2-amine IUPAC Name: N-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Traditional Name: 2-[(3-methoxy-2-pyridyl)methylthio]ethyl-(3-nitro-1H-pyrrol-2-yl)amine Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(N=CC=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-20-12-3-2-5-14-10(12)9-21-8-7-16-13-11(17(18)19)4-6-15-13/h2-6,15-16H,7-9H2,1H3