(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H15N3O3S/c25-21(17-12-7-13-22-20(17)28-16-10-5-2-6-11-16)26-14-18-23-19(24-27-18)15-8-3-1-4-9-15/h1-13H,14H2