N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H11ClF3N3O3S MolecularWeight: 429.80075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N3O3S/c18-13-6-5-11(17(19,20)21)9-14(13)22-16(28)23-15(25)7-4-10-2-1-3-12(8-10)24(26)27/h1-9H,(H2,22,23,25,28)