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

Systemtic Name: methyl 2-butylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OC)C

Isomeric SMILES

CCCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OC)C

InChI

InChI=1S/C16H20N4O2S2/c1-4-5-8-24-16-18-15-17-10(2)12(14(21)22-3)13(20(15)19-16)11-7-6-9-23-11/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18,19)