1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C21H18N4O3S2/c1-13(20-24-19(25-28-20)16-4-3-9-22-10-16)27-21(26)15-5-7-18(8-6-15)30-12-17-11-29-14(2)23-17/h3-11,13H,12H2,1-2H3