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

Systemtic Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate Openeye Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S/c1-14-6-2-3-7-17(14)19(24)27-12-4-5-13-29-20-22-21-18(28-20)15-8-10-16(11-9-15)23(25)26/h2-3,6-11H,12-13H2,1H3