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

Systemtic Name: ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-methoxyphenoxy)methyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-27-20(25)14-29-21-23-22-19(24(21)16-7-5-15(2)6-8-16)13-28-18-11-9-17(26-3)10-12-18/h5-12H,4,13-14H2,1-3H3