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

Systemtic Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate Openeye Name: 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C23H15N3O5S MolecularWeight: 445.4473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5S/c27-22(17-10-12-18(13-11-17)26(28)29)30-14-3-4-15-32-23-25-24-21(31-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2