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

Systemtic Name: 2-[[5-[(4-methylphenoxy)methyl]-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-[2-(4-isobutylphenyl)propanoylamino]-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-methylphenoxy)methyl]-4-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-methylphenoxy)methyl]-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-[2-(4-isobutylphenyl)propanoylamino]-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2NC(=O)C(C)C3=CC=C(C=C3)CC(C)C)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2NC(=O)C(C)C3=CC=C(C=C3)CC(C)C)SCC(=O)O

InChI

InChI=1S/C25H30N4O4S/c1-16(2)13-19-7-9-20(10-8-19)18(4)24(32)28-29-22(26-27-25(29)34-15-23(30)31)14-33-21-11-5-17(3)6-12-21/h5-12,16,18H,13-15H2,1-4H3,(H,28,32)(H,30,31)