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

Systemtic Name: methyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-25-17-10-8-16(9-11-17)19-21-22-20(27-14-18(24)26-2)23(19)13-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3