N-(4-butylsulfanylphenyl)-3-nitro-benzamide

Systemtic Name: N-(4-butylsulfanylphenyl)-3-nitro-benzamide Openeye Name: N-(4-butylsulfanylphenyl)-3-nitro-benzamide CAS Name: N-[4-(butylthio)phenyl]-3-nitrobenzamide IUPAC Name: N-(4-butylsulfanylphenyl)-3-nitrobenzamide Traditional Name: N-[4-(butylthio)phenyl]-3-nitro-benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-2-3-11-23-16-9-7-14(8-10-16)18-17(20)13-5-4-6-15(12-13)19(21)22/h4-10,12H,2-3,11H2,1H3,(H,18,20)