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

Systemtic Name: ethyl 7-(4-cyanophenyl)-5-methyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-7-(4-cyanophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(4-cyanophenyl)-5-methyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-7-(4-cyanophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(benzylthio)-7-(4-cyanophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c1-3-30-21(29)19-15(2)25-22-26-23(31-14-17-7-5-4-6-8-17)27-28(22)20(19)18-11-9-16(13-24)10-12-18/h4-12,20H,3,14H2,1-2H3,(H,25,26,27)