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

Systemtic Name: 3-cyanopropyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O2S/c21-16-10-8-15(9-11-16)19-23-24-20(25(19)17-6-2-1-3-7-17)28-14-18(26)27-13-5-4-12-22/h1-3,6-11H,4-5,13-14H2