N-(4-bromanyl-3-chloranyl-phenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-chloro-phenyl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-chlorophenyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(4-bromo-3-chlorophenyl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-3-chloro-phenyl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C13H9BrClN3O3S MolecularWeight: 402.65086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C13H9BrClN3O3S/c14-10-3-1-8(5-11(10)15)17-12(19)7-22-13-4-2-9(6-16-13)18(20)21/h1-6H,7H2,(H,17,19)