4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile CAS Name: 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzonitrile Formula: C17H11F3N4O MolecularWeight: 344.29065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C17H11F3N4O/c1-25-14-8-4-12(5-9-14)15-22-16(17(18,19)20)23-24(15)13-6-2-11(10-21)3-7-13/h2-9H,1H3