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

Systemtic Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate Openeye Name: 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[[5-(p-tolyl)-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=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S/c1-14-4-6-15(7-5-14)18-21-22-20(28-18)29-13-3-2-12-27-19(24)16-8-10-17(11-9-16)23(25)26/h4-11H,12-13H2,1H3