2-chloranyl-N-(4-methylsulfanylphenyl)-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(4-methylsulfanylphenyl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(4-methylsulfanylphenyl)-4-nitro-benzamide CAS Name: 2-chloro-N-[4-(methylthio)phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(4-methylsulfanylphenyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-(methylthio)phenyl]-4-nitro-benzamide Formula: C14H11ClN2O3S MolecularWeight: 322.76674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O3S/c1-21-11-5-2-9(3-6-11)16-14(18)12-7-4-10(17(19)20)8-13(12)15/h2-8H,1H3,(H,16,18)