1-methylsulfanyl-4-[(E)-2-nitrobut-1-enyl]benzene

Systemtic Name: 1-methylsulfanyl-4-[(E)-2-nitrobut-1-enyl]benzene Openeye Name: 1-methylsulfanyl-4-[(E)-2-nitrobut-1-enyl]benzene CAS Name: 1-(methylthio)-4-[(E)-2-nitrobut-1-enyl]benzene IUPAC Name: 1-methylsulfanyl-4-[(E)-2-nitrobut-1-enyl]benzene Traditional Name: 1-(methylthio)-4-[(E)-2-nitrobut-1-enyl]benzene Formula: C11H13NO2S MolecularWeight: 223.29142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CC/C(=C\C1=CC=C(C=C1)SC)/[N+](=O)[O-]

InChI

InChI=1S/C11H13NO2S/c1-3-10(12(13)14)8-9-4-6-11(15-2)7-5-9/h4-8H,3H2,1-2H3/b10-8+