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

Systemtic Name: 4-chloranyl-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]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[2-[[5-[(4-methoxyphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-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]-4-chloro-benzoic acid Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O5S/c1-3-10-27-19(12-32-16-7-5-15(31-2)6-8-16)25-26-22(27)33-13-20(28)24-18-11-14(21(29)30)4-9-17(18)23/h3-9,11H,1,10,12-13H2,2H3,(H,24,28)(H,29,30)