diethyl 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate

Systemtic Name: diethyl 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate Openeye Name: diethyl 7-methyl-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate CAS Name: 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate Traditional Name: 7-methyl-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylic acid diethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=NN2C4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=NN2C4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C22H22N4O4S/c1-4-29-20(27)17-14(3)23-22-25(18(17)16-12-9-13-31-16)19(21(28)30-5-2)24-26(22)15-10-7-6-8-11-15/h6-13,18H,4-5H2,1-3H3