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

Systemtic Name: prop-2-enyl 2-butylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S2/c1-4-6-10-26-18-20-17-19-12(3)14(16(23)24-9-5-2)15(22(17)21-18)13-8-7-11-25-13/h5,7-8,11,15H,2,4,6,9-10H2,1,3H3,(H,19,20,21)