5-nitro-2-oxidanylidene-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 5-nitro-2-oxidanylidene-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyridine-3-carbonitrile Openeye Name: 5-nitro-2-oxo-1-[[2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]methyl]pyridine-3-carbonitrile CAS Name: 5-nitro-2-oxo-1-[[2-[4-(trifluoromethyl)phenyl]-4-thiazolyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 5-nitro-2-oxo-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-keto-5-nitro-1-[[2-[4-(trifluoromethyl)phenyl]thiazol-4-yl]methyl]nicotinonitrile Formula: C17H9F3N4O3S MolecularWeight: 406.33857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CS2)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CS2)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H9F3N4O3S/c18-17(19,20)12-3-1-10(2-4-12)15-22-13(9-28-15)7-23-8-14(24(26)27)5-11(6-21)16(23)25/h1-5,8-9H,7H2