prop-2-enyl 2-ethylsulfanyl-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-ethylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 2-ethylsulfanyl-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(ethylthio)-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-ethylsulfanyl-5-methyl-7-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(ethylthio)-5-methyl-7-(2-thienyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid allyl ester Formula: C16H18N4O2S2 MolecularWeight: 362.46972

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OCC=C)C

Isomeric SMILES

CCSC1=NC2=NC(=C(C(N2N1)C3=CC=CS3)C(=O)OCC=C)C

InChI

InChI=1S/C16H18N4O2S2/c1-4-8-22-14(21)12-10(3)17-15-18-16(23-5-2)19-20(15)13(12)11-7-6-9-24-11/h4,6-7,9,13H,1,5,8H2,2-3H3,(H,17,18,19)