N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]acrylamide Formula: C17H10F3N3O3S MolecularWeight: 393.33981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H10F3N3O3S/c18-17(19,20)11-3-1-2-10(8-11)4-7-15(24)22-16-21-13-6-5-12(23(25)26)9-14(13)27-16/h1-9H,(H,21,22,24)