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

Systemtic Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl naphthalene-1-carboxylate Openeye Name: 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl naphthalene-1-carboxylate CAS Name: 1-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-1-carboxylate Traditional Name: naphthalene-1-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(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC=CC5=CC=CC=C54

InChI

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