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

Systemtic Name: butyl 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C23H27N3O3S/c1-3-4-16-29-21(27)17-30-23-25-24-22(19-12-8-9-13-20(19)28-2)26(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3