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

Systemtic Name: 5-[2-[(3-nitro-1H-pyrrol-2-yl)amino]ethylsulfanylmethyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-[(3-nitro-1H-pyrrol-2-yl)amino]ethylsulfanylmethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[2-[(3-nitro-1H-pyrrol-2-yl)amino]ethylthio]methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-[(3-nitro-1H-pyrrol-2-yl)amino]ethylsulfanylmethyl]-1,3,4-thiadiazol-2-amine Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]ethyl-(3-nitro-1H-pyrrol-2-yl)amine Formula: C9H12N6O2S2 MolecularWeight: 300.36058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1[N+](=O)[O-])NCCSCC2=NN=C(S2)N

Isomeric SMILES

C1=CNC(=C1[N+](=O)[O-])NCCSCC2=NN=C(S2)N

InChI

InChI=1S/C9H12N6O2S2/c10-9-14-13-7(19-9)5-18-4-3-12-8-6(15(16)17)1-2-11-8/h1-2,11-12H,3-5H2,(H2,10,14)