1-(5-bromanyl-2,4-dimethoxy-phenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(5-bromanyl-2,4-dimethoxy-phenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(5-bromo-2,4-dimethoxy-phenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-bromo-2,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(5-bromo-2,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(5-bromo-2,4-dimethoxy-phenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H19BrN4O3S MolecularWeight: 511.39096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)Br)OC

InChI

InChI=1S/C23H19BrN4O3S/c1-30-20-13-21(31-2)18(24)12-17(20)19(29)14-32-23-27-26-22(15-8-10-25-11-9-15)28(23)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3