1-chloranyl-4-(2-methylpropylsulfanylmethyl)-2-nitro-benzene

Systemtic Name: 1-chloranyl-4-(2-methylpropylsulfanylmethyl)-2-nitro-benzene Openeye Name: 1-chloro-4-(isobutylsulfanylmethyl)-2-nitro-benzene CAS Name: 1-chloro-4-[(2-methylpropylthio)methyl]-2-nitrobenzene IUPAC Name: 1-chloro-4-(2-methylpropylsulfanylmethyl)-2-nitrobenzene Traditional Name: 1-chloro-4-[(isobutylthio)methyl]-2-nitro-benzene Formula: C11H14ClNO2S MolecularWeight: 259.75236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSCC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClNO2S/c1-8(2)6-16-7-9-3-4-10(12)11(5-9)13(14)15/h3-5,8H,6-7H2,1-2H3