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

Systemtic Name: propan-2-yl 2-ethylsulfanyl-5-methyl-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-5-25-18-20-17-19-12(4)14(16(23)24-11(2)3)15(22(17)21-18)13-9-7-6-8-10-13/h6-11,15H,5H2,1-4H3,(H,19,20,21)