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

Systemtic Name: 1-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H22BrN3OS/c1-14(26)13-27-20-24-23-19(25(20)18-11-9-17(22)10-12-18)15-5-7-16(8-6-15)21(2,3)4/h5-12H,13H2,1-4H3