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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[2-(allylamino)-2-oxo-ethyl]sulfanyl-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 3-nitro-4-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[[2-(allylamino)-2-keto-ethyl]thio]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N3O4S/c1-2-9-23-17(26)11-30-16-8-7-12(10-15(16)25(28)29)18(27)24-14-6-4-3-5-13(14)19(20,21)22/h2-8,10H,1,9,11H2,(H,23,26)(H,24,27)