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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O2S/c1-22(2,3)17-10-6-15(7-11-17)19(26)14-28-21-24-23-20(25(21)4)16-8-12-18(27-5)13-9-16/h6-13H,14H2,1-5H3