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

Systemtic Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl naphthalene-2-carboxylate Openeye Name: 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic 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 naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C27H18N2O3S MolecularWeight: 450.50842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC#CCSC3=NN=C(O3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H18N2O3S/c30-26(22-15-14-19-8-1-2-10-21(19)18-22)31-16-5-6-17-33-27-29-28-25(32-27)24-13-7-11-20-9-3-4-12-23(20)24/h1-4,7-15,18H,16-17H2