ethyl 5-methyl-7-(4-methylphenyl)-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-7-(4-methylphenyl)-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-5-methyl-7-(p-tolyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-(4-methylphenyl)-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-5-methyl-7-(4-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-5-methyl-7-(p-tolyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=C(C=C3)C)SCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=C(C=C3)C)SCC4=CC=CC=C4)C

InChI

InChI=1S/C23H24N4O2S/c1-4-29-21(28)19-16(3)24-22-25-23(30-14-17-8-6-5-7-9-17)26-27(22)20(19)18-12-10-15(2)11-13-18/h5-13,20H,4,14H2,1-3H3,(H,24,25,26)