(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H14N4O3S MolecularWeight: 414.43656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C22H14N4O3S/c23-12-15-6-1-3-9-18(15)30-19-10-4-2-8-17(19)22(27)28-14-20-25-21(26-29-20)16-7-5-11-24-13-16/h1-11,13H,14H2