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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-(2-furfuryl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H15BrN4O2S MolecularWeight: 455.3277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O2S/c21-16-5-3-14(4-6-16)18(26)13-28-20-24-23-19(15-7-9-22-10-8-15)25(20)12-17-2-1-11-27-17/h1-11H,12-13H2