(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C22H15N3O3S2 MolecularWeight: 433.5028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15N3O3S2/c23-11-15-5-7-16(8-6-15)13-30-19-4-2-1-3-18(19)22(26)27-12-20-24-21(28-25-20)17-9-10-29-14-17/h1-10,14H,12-13H2