(diphenylmethyl) 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: (diphenylmethyl) 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: benzhydryl 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5-methyl-7-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 5-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5-methyl-7-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid benzhydryl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)SC)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)SC)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-14-13-17(28-2)25-21(22-14)23-19(24-25)20(26)27-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3