3-[2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[4-allyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-allyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H22N4O5S/c1-3-11-26-19(13-31-18-9-7-17(30-2)8-10-18)24-25-22(26)32-14-20(27)23-16-6-4-5-15(12-16)21(28)29/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)(H,28,29)