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

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C20H17N3O3S/c1-13(2)19-22-18(26-23-19)12-25-20(24)15-8-4-6-10-17(15)27-16-9-5-3-7-14(16)11-21/h3-10,13H,12H2,1-2H3