4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate

Systemtic Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate Openeye Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15FN2O3S MolecularWeight: 382.408103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O3S/c1-14-5-4-6-16(13-14)19(24)25-11-2-3-12-27-20-23-22-18(26-20)15-7-9-17(21)10-8-15/h4-10,13H,11-12H2,1H3