2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C15H14FN5S MolecularWeight: 315.368563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCC(CCC#N)C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H14FN5S/c1-21-14(12-4-6-13(16)7-5-12)19-20-15(21)22-10-11(9-18)3-2-8-17/h4-7,11H,2-3,10H2,1H3