2-cyano-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enethioamide Openeye Name: 2-cyano-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enethioamide CAS Name: 2-cyano-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]prop-2-enethioamide Traditional Name: 2-cyano-3-[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]thioacrylamide Formula: C17H10F3N3O3S MolecularWeight: 393.33981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C#N)C(=S)N)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=C(C#N)C(=S)N)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H10F3N3O3S/c18-17(19,20)12-5-6-15(13(8-12)23(24)25)26-14-4-2-1-3-10(14)7-11(9-21)16(22)27/h1-8H,(H2,22,27)