butyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: butyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: butyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-phenyl-2-(propylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester IUPAC Name: butyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-phenyl-2-(propylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)SCCC)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)SCCC)C

InChI

InChI=1S/C20H26N4O2S/c1-4-6-12-26-18(25)16-14(3)21-19-22-20(27-13-5-2)23-24(19)17(16)15-10-8-7-9-11-15/h7-11,17H,4-6,12-13H2,1-3H3,(H,21,22,23)