2-(butan-2-ylsulfanylmethyl)-1-chloranyl-4-nitro-benzene

Systemtic Name: 2-(butan-2-ylsulfanylmethyl)-1-chloranyl-4-nitro-benzene Openeye Name: 1-chloro-4-nitro-2-(sec-butylsulfanylmethyl)benzene CAS Name: 2-[(butan-2-ylthio)methyl]-1-chloro-4-nitrobenzene IUPAC Name: 2-(butan-2-ylsulfanylmethyl)-1-chloro-4-nitrobenzene Traditional Name: 1-chloro-4-nitro-2-[(sec-butylthio)methyl]benzene Formula: C11H14ClNO2S MolecularWeight: 259.75236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)SCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H14ClNO2S/c1-3-8(2)16-7-9-6-10(13(14)15)4-5-11(9)12/h4-6,8H,3,7H2,1-2H3