2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN3OS/c1-2-5-13-8-10-14(11-9-13)17(24)12-25-19-21-18(22-23-19)15-6-3-4-7-16(15)20/h3-4,6-11H,2,5,12H2,1H3,(H,21,22,23)