4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3-iodoanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-iodoanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-iodoanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3-iodoanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H12IN3O4S MolecularWeight: 457.24295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12IN3O4S/c16-10-2-1-3-11(7-10)18-14(20)8-24-13-5-4-9(15(17)21)6-12(13)19(22)23/h1-7H,8H2,(H2,17,21)(H,18,20)