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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H15ClN2O3S/c1-14-7-2-3-10-17(14)19(24)25-11-4-5-12-27-20-23-22-18(26-20)15-8-6-9-16(21)13-15/h2-3,6-10,13H,11-12H2,1H3