N,N-diethyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N,N-diethyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N,N-diethyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N,N-diethyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N,N-diethyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N,N-diethyl-4-(methylthio)-3-nitro-benzamide Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-4-13(5-2)12(15)9-6-7-11(18-3)10(8-9)14(16)17/h6-8H,4-5H2,1-3H3