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

Systemtic Name: prop-2-enyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: allyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-phenyl-2-(propylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-phenyl-2-(propylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid allyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=C3)C(=O)OCC=C)C

Isomeric SMILES

CCCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=C3)C(=O)OCC=C)C

InChI

InChI=1S/C19H22N4O2S/c1-4-11-25-17(24)15-13(3)20-18-21-19(26-12-5-2)22-23(18)16(15)14-9-7-6-8-10-14/h4,6-10,16H,1,5,11-12H2,2-3H3,(H,20,21,22)