4-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCC(=O)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCC(=O)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27N3OS/c1-16-8-6-7-9-20(16)26-21(24-25-22(26)28-15-14-17(2)27)18-10-12-19(13-11-18)23(3,4)5/h6-13H,14-15H2,1-5H3