2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-phenyl-5-[(4-propoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-phenyl-5-(4-propoxybenzyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

InChI

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