cyanomethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyanomethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyanomethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyanomethyl ester Formula: C18H13FN4O2S MolecularWeight: 368.384823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H13FN4O2S/c19-14-8-6-13(7-9-14)17-21-22-18(26-12-16(24)25-11-10-20)23(17)15-4-2-1-3-5-15/h1-9H,11-12H2