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

Systemtic Name: prop-2-enyl 2-butylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 2-butylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(butylthio)-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-butylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(butylthio)-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid allyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-4-6-13-27-20-22-19-21-14(3)16(18(25)26-12-5-2)17(24(19)23-20)15-10-8-7-9-11-15/h5,7-11,17H,2,4,6,12-13H2,1,3H3,(H,21,22,23)