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

Systemtic Name: butyl 2-butylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: butyl 2-butylsulfanyl-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(butylthio)-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-butylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(butylthio)-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid butyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S2/c1-4-6-10-25-17(24)15-13(3)20-18-21-19(27-11-7-5-2)22-23(18)16(15)14-9-8-12-26-14/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,20,21,22)