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

Systemtic Name: butyl 5-methyl-2-propylsulfanyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S2/c1-4-6-9-24-16(23)14-12(3)19-17-20-18(26-10-5-2)21-22(17)15(14)13-8-7-11-25-13/h7-8,11,15H,4-6,9-10H2,1-3H3,(H,19,20,21)