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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H23N3OS/c1-15-7-5-6-8-18(15)24-14-22-23-20(24)26-13-19(25)16-9-11-17(12-10-16)21(2,3)4/h5-12,14H,13H2,1-4H3