N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-benzamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(allylamino)-2-oxo-ethyl]sulfanyl-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-(allylamino)-2-keto-ethyl]thio]-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide Formula: C18H15ClFN3O4S MolecularWeight: 423.845803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClFN3O4S/c1-2-7-21-17(24)10-28-16-6-3-11(8-15(16)23(26)27)18(25)22-14-5-4-12(19)9-13(14)20/h2-6,8-9H,1,7,10H2,(H,21,24)(H,22,25)