3-fluoranyl-4-[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-methyl-5-thioxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile CAS Name: 3-fluoro-4-[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 3-fluoro-4-[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 3-fluoro-4-[4-methyl-5-thioxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Formula: C11H6F4N4S MolecularWeight: 302.250753

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C2=C(C=C(C=C2)C#N)F)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=S)C2=C(C=C(C=C2)C#N)F)C(F)(F)F

InChI

InChI=1S/C11H6F4N4S/c1-18-9(11(13,14)15)17-19(10(18)20)8-3-2-6(5-16)4-7(8)12/h2-4H,1H3