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

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H16BrN3O2S/c1-14(19(26)15-9-11-16(22)12-10-15)28-21-24-23-20(18-8-5-13-27-18)25(21)17-6-3-2-4-7-17/h2-14H,1H3