2-[(E)-2-nitro-1-sulfanyl-ethenyl]sulfanylethanenitrile

Systemtic Name: 2-[(E)-2-nitro-1-sulfanyl-ethenyl]sulfanylethanenitrile Openeye Name: 2-[(E)-2-nitro-1-sulfanyl-vinyl]sulfanylacetonitrile CAS Name: 2-[[(E)-1-mercapto-2-nitroethenyl]thio]acetonitrile IUPAC Name: 2-[(E)-2-nitro-1-sulfanylethenyl]sulfanylacetonitrile Traditional Name: 2-[[(E)-1-mercapto-2-nitro-vinyl]thio]acetonitrile Formula: C4H4N2O2S2 MolecularWeight: 176.21676

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)SC(=C[N+](=O)[O-])S

Isomeric SMILES

C(C#N)S/C(=C/[N+](=O)[O-])/S

InChI

InChI=1S/C4H4N2O2S2/c5-1-2-10-4(9)3-6(7)8/h3,9H,2H2/b4-3+