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

Systemtic Name: tert-butyl 2-[[4-azanyl-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid tert-butyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N4O4S/c1-16(2,3)24-13(21)9-25-15-19-18-14(20(15)17)11-7-6-10(22-4)8-12(11)23-5/h6-8H,9,17H2,1-5H3