methyl 7-methyl-1,5-diphenyl-3-thiophen-2-ylcarbonyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 7-methyl-1,5-diphenyl-3-thiophen-2-ylcarbonyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Openeye Name: methyl 7-methyl-1,5-diphenyl-3-(thiophene-2-carbonyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-3-[oxo(thiophen-2-yl)methyl]-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-1,5-diphenyl-3-(thiophene-2-carbonyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Traditional Name: 7-methyl-1,5-diphenyl-3-(2-thenoyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C4=CC=CS4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C4=CC=CS4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C25H20N4O3S/c1-16-20(24(31)32-2)21(17-10-5-3-6-11-17)28-23(22(30)19-14-9-15-33-19)27-29(25(28)26-16)18-12-7-4-8-13-18/h3-15,21H,1-2H3