N-butyl-5-methylsulfanyl-2-nitro-benzamide

Systemtic Name: N-butyl-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-butyl-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-butyl-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-butyl-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-butyl-5-(methylthio)-2-nitro-benzamide Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-3-4-7-13-12(15)10-8-9(18-2)5-6-11(10)14(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)