butyl 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H27N3O2S/c1-6-7-12-24-16(23)13-25-18-21-20-17(22(18)5)14-8-10-15(11-9-14)19(2,3)4/h8-11H,6-7,12-13H2,1-5H3