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

Systemtic Name: propyl 5-methyl-2-propylsulfanyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: propyl 5-methyl-2-propylsulfanyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(propylthio)-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid propyl ester IUPAC Name: propyl 5-methyl-2-propylsulfanyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(propylthio)-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid propyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CS3)SCCC)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CS3)SCCC)C

InChI

InChI=1S/C17H22N4O2S2/c1-4-8-23-15(22)13-11(3)18-16-19-17(25-9-5-2)20-21(16)14(13)12-7-6-10-24-12/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,18,19,20)