ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O4S/c1-3-26-19(24)14-28-20-22-21-18(23(20)15-7-5-4-6-8-15)13-27-17-11-9-16(25-2)10-12-17/h4-12H,3,13-14H2,1-2H3