2-[2-[(2-cyano-4-nitro-phenyl)amino]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[(2-cyano-4-nitro-phenyl)amino]phenyl]sulfanylethanamide Openeye Name: 2-[2-(2-cyano-4-nitro-anilino)phenyl]sulfanylacetamide CAS Name: 2-[[2-(2-cyano-4-nitroanilino)phenyl]thio]acetamide IUPAC Name: 2-[2-(2-cyano-4-nitroanilino)phenyl]sulfanylacetamide Traditional Name: 2-[[2-(2-cyano-4-nitro-anilino)phenyl]thio]acetamide Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)SCC(=O)N

InChI

InChI=1S/C15H12N4O3S/c16-8-10-7-11(19(21)22)5-6-12(10)18-13-3-1-2-4-14(13)23-9-15(17)20/h1-7,18H,9H2,(H2,17,20)