methyl 6-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate

Systemtic Name: methyl 6-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate Openeye Name: methyl 6-methyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine-4-carboxylate CAS Name: 6-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carboxylate Traditional Name: 6-methyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]pyrimidine-4-carboxylic acid methyl ester Formula: C13H11N5O2S2 MolecularWeight: 333.38874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)OC)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)OC)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C13H11N5O2S2/c1-7-6-8(11(19)20-2)15-12(14-7)22-13-16-10(17-18-13)9-4-3-5-21-9/h3-6H,1-2H3,(H,16,17,18)