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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-benzyl-5-(4-tert-butylphenyl)-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:

CC(=O)CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27N3OS/c1-17(27)14-15-28-22-25-24-21(26(22)16-18-8-6-5-7-9-18)19-10-12-20(13-11-19)23(2,3)4/h5-13H,14-16H2,1-4H3