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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3OS/c1-3-13-4-6-15(7-5-13)18-21-19(23-22-18)25-12(2)17(24)14-8-10-16(20)11-9-14/h4-12H,3H2,1-2H3,(H,21,22,23)