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

Systemtic Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate Openeye Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3S/c1-15-9-11-17(12-10-15)19(23)24-13-5-6-14-26-20-22-21-18(25-20)16-7-3-2-4-8-16/h2-4,7-12H,13-14H2,1H3