4-hexylsulfanyl-3-nitro-benzamide

Systemtic Name: 4-hexylsulfanyl-3-nitro-benzamide Openeye Name: 4-hexylsulfanyl-3-nitro-benzamide CAS Name: 4-(hexylthio)-3-nitrobenzamide IUPAC Name: 4-hexylsulfanyl-3-nitrobenzamide Traditional Name: 4-(hexylthio)-3-nitro-benzamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-2-3-4-5-8-19-12-7-6-10(13(14)16)9-11(12)15(17)18/h6-7,9H,2-5,8H2,1H3,(H2,14,16)