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

Systemtic Name: propan-2-yl 2-butylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-5-6-12-27-20-22-19-21-14(4)16(18(25)26-13(2)3)17(24(19)23-20)15-10-8-7-9-11-15/h7-11,13,17H,5-6,12H2,1-4H3,(H,21,22,23)