[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H13N3O4S MolecularWeight: 403.41062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CO4

InChI

InChI=1S/C21H13N3O4S/c22-12-14-6-1-3-9-17(14)29-18-10-4-2-7-15(18)21(25)27-13-19-23-24-20(28-19)16-8-5-11-26-16/h1-11H,13H2