N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-thioxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Traditional Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-thioxo-1H-pyridine-3-carboxamide Formula: C15H13F3N4O3S MolecularWeight: 386.34893

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=S)C(=C1)C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=S)C(=C1)C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N4O3S/c16-15(17,18)9-3-4-11(12(8-9)22(24)25)19-6-7-20-13(23)10-2-1-5-21-14(10)26/h1-5,8,19H,6-7H2,(H,20,23)(H,21,26)