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

Systemtic Name: propyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-4-11-25-17(24)15-13(3)20-18-21-19(26-12-5-2)22-23(18)16(15)14-9-7-6-8-10-14/h6-10,16H,4-5,11-12H2,1-3H3,(H,20,21,22)