N-(4-iodophenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-iodophenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(4-iodophenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(4-iodophenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(4-iodophenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-iodophenyl)-4-(methylthio)-3-nitro-benzamide Formula: C14H11IN2O3S MolecularWeight: 414.21821

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)I)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C14H11IN2O3S/c1-21-13-7-2-9(8-12(13)17(19)20)14(18)16-11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,18)