(E)-2-nitro-1-(phenylmethylsulfanyl)ethenethiol

Systemtic Name: (E)-2-nitro-1-(phenylmethylsulfanyl)ethenethiol Openeye Name: (E)-1-benzylsulfanyl-2-nitro-ethenethiol CAS Name: (E)-2-nitro-1-(phenylmethylthio)ethenethiol IUPAC Name: (E)-1-benzylsulfanyl-2-nitroethenethiol Traditional Name: (E)-1-(benzylthio)-2-nitro-ethenethiol Formula: C9H9NO2S2 MolecularWeight: 227.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=C[N+](=O)[O-])S

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=C/[N+](=O)[O-])/S

InChI

InChI=1S/C9H9NO2S2/c11-10(12)6-9(13)14-7-8-4-2-1-3-5-8/h1-6,13H,7H2/b9-6+