butyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCOC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H19N3O3S/c1-3-4-9-21-13(19)10-22-15-16-14(17-18-15)11-5-7-12(20-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,17,18)