3-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CCCOC)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CCCOC)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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