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

Systemtic Name: 2-(4-methylphenoxy)ethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-(4-methylphenoxy)ethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid 2-(4-methylphenoxy)ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCCOC2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCCOC2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-24-20(17-7-5-4-6-8-17)22-23-21(24)28-15-19(25)27-14-13-26-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3