ethyl 6-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2,5-dimethyl-pyrimidine-4-carboxylate

Systemtic Name: ethyl 6-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2,5-dimethyl-pyrimidine-4-carboxylate Openeye Name: ethyl 6-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2,5-dimethyl-pyrimidine-4-carboxylate CAS Name: 6-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2,5-dimethyl-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2,5-dimethylpyrimidine-4-carboxylate Traditional Name: 6-[[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2,5-dimethyl-pyrimidine-4-carboxylic acid ethyl ester Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=N1)C)SC2=NNC(=N2)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H25N5O2S/c1-7-28-19(27)16-12(2)18(23-13(3)22-16)29-20-24-17(25-26-20)14-8-10-15(11-9-14)21(4,5)6/h8-11H,7H2,1-6H3,(H,24,25,26)