(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C14H11ClN4O2S3 MolecularWeight: 398.91074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C14H11ClN4O2S3/c1-7-10(14(20)21-6-8-11(15)24-19-18-8)13(22-2)17-12(16-7)9-4-3-5-23-9/h3-5H,6H2,1-2H3