4-[[(E)-2-nitroethenyl]sulfanylmethylamino]benzenecarbonitrile

Systemtic Name: 4-[[(E)-2-nitroethenyl]sulfanylmethylamino]benzenecarbonitrile Openeye Name: 4-[[(E)-2-nitrovinyl]sulfanylmethylamino]benzonitrile CAS Name: 4-[[[(E)-2-nitroethenyl]thio]methylamino]benzonitrile IUPAC Name: 4-[[(E)-2-nitroethenyl]sulfanylmethylamino]benzonitrile Traditional Name: 4-[[[(E)-2-nitrovinyl]thio]methylamino]benzonitrile Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NCSC=C[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NCS/C=C/[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O2S/c11-7-9-1-3-10(4-2-9)12-8-16-6-5-13(14)15/h1-6,12H,8H2/b6-5+