[(E)-1-(methylamino)-2-nitro-ethenyl]-(2-sulfanylethyl)azanium

Systemtic Name: [(E)-1-(methylamino)-2-nitro-ethenyl]-(2-sulfanylethyl)azanium Openeye Name: [(E)-1-(methylamino)-2-nitro-vinyl]-(2-sulfanylethyl)ammonium CAS Name: 2-mercaptoethyl-[(E)-1-(methylamino)-2-nitroethenyl]ammonium IUPAC Name: [(E)-1-(methylamino)-2-nitroethenyl]-(2-sulfanylethyl)azanium Traditional Name: 2-mercaptoethyl-[(E)-1-(methylamino)-2-nitro-vinyl]ammonium Formula: C5H12N3O2S+ MolecularWeight: 178.23268

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C[N+](=O)[O-])[NH2+]CCS

Isomeric SMILES

CN/C(=C\[N+](=O)[O-])/[NH2+]CCS

InChI

InChI=1S/C5H11N3O2S/c1-6-5(4-8(9)10)7-2-3-11/h4,6-7,11H,2-3H2,1H3/p+1/b5-4+