[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13ClN4O4S MolecularWeight: 392.81682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C16H13ClN4O4S/c1-23-10-5-3-9(4-6-10)14-19-12(25-21-14)8-24-15(22)13-11(17)7-18-16(20-13)26-2/h3-7H,8H2,1-2H3