3-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C22H24N3O3S- MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCCC(=O)[O-]

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)16-7-5-15(6-8-16)20-23-24-21(29-14-13-19(26)27)25(20)17-9-11-18(28-4)12-10-17/h5-12H,13-14H2,1-4H3,(H,26,27)/p-1