prop-2-enyl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: prop-2-enyl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(ethylthio)-5-methyl-7-phenyl-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-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(ethylthio)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid allyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-4-11-24-16(23)14-12(3)19-17-20-18(25-5-2)21-22(17)15(14)13-9-7-6-8-10-13/h4,6-10,15H,1,5,11H2,2-3H3,(H,19,20,21)