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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C22H17BrN4OS MolecularWeight: 465.36558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H17BrN4OS/c23-19-8-6-17(7-9-19)20(28)15-29-22-26-25-21(18-10-12-24-13-11-18)27(22)14-16-4-2-1-3-5-16/h1-13H,14-15H2