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

Systemtic Name: propan-2-yl 5-methyl-7-phenyl-2-propylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-5-11-26-19-21-18-20-13(4)15(17(24)25-12(2)3)16(23(18)22-19)14-9-7-6-8-10-14/h6-10,12,16H,5,11H2,1-4H3,(H,20,21,22)