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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-methylbenzoate CAS Name: 3-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 3-methylbenzoate Traditional Name: 3-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(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O3S/c1-14-6-4-8-16(12-14)19(24)25-10-2-3-11-27-20-23-22-18(26-20)15-7-5-9-17(21)13-15/h4-9,12-13H,10-11H2,1H3