ethyl 3-ethanoyl-7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-ethanoyl-7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Openeye Name: ethyl 3-acetyl-7-methyl-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate CAS Name: 3-acetyl-7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Traditional Name: 3-acetyl-7-methyl-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-4-28-20(27)17-13(2)22-21-24(18(17)16-11-8-12-29-16)19(14(3)26)23-25(21)15-9-6-5-7-10-15/h5-12,18H,4H2,1-3H3