6-(4-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

Systemtic Name: 6-(4-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Openeye Name: 6-(4-nitrophenyl)-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile CAS Name: 6-(4-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile IUPAC Name: 6-(4-nitrophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Traditional Name: 6-(4-nitrophenyl)-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Formula: C13H6F3N3O2S MolecularWeight: 325.26585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C(C(=S)N2)C#N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C(C(=S)N2)C#N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H6F3N3O2S/c14-13(15,16)10-5-11(18-12(22)9(10)6-17)7-1-3-8(4-2-7)19(20)21/h1-5H,(H,18,22)