1-nitrobut-3-en-2-ylsulfanylbenzene

Systemtic Name: 1-nitrobut-3-en-2-ylsulfanylbenzene Openeye Name: 1-(nitromethyl)allylsulfanylbenzene CAS Name: (1-nitrobut-3-en-2-ylthio)benzene IUPAC Name: 1-nitrobut-3-en-2-ylsulfanylbenzene Traditional Name: [1-(nitromethyl)allylthio]benzene Formula: C10H11NO2S MolecularWeight: 209.26484

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C[N+](=O)[O-])SC1=CC=CC=C1

Isomeric SMILES

C=CC(C[N+](=O)[O-])SC1=CC=CC=C1

InChI

InChI=1S/C10H11NO2S/c1-2-9(8-11(12)13)14-10-6-4-3-5-7-10/h2-7,9H,1,8H2