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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)16-9-5-14(6-10-16)18(25)13-27-20-22-19(23-24-20)15-7-11-17(26-4)12-8-15/h5-12H,13H2,1-4H3,(H,22,23,24)