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

Systemtic Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl naphthalene-1-carboxylate Openeye Name: 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OCC#CCSC3=NN=C(O3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OCC#CCSC3=NN=C(O3)C4=CC=NC=C4

InChI

InChI=1S/C22H15N3O3S/c26-21(19-9-5-7-16-6-1-2-8-18(16)19)27-14-3-4-15-29-22-25-24-20(28-22)17-10-12-23-13-11-17/h1-2,5-13H,14-15H2