3-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-[(4-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H17FN4OS MolecularWeight: 380.438583

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)COC3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)COC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4OS/c1-2-10-25-19(13-26-18-8-6-17(21)7-9-18)23-24-20(25)27-14-16-5-3-4-15(11-16)12-22/h2-9,11H,1,10,13-14H2