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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-14-18(11-12-27-14)20-23-24-21(25(20)17-5-3-2-4-6-17)28-13-19(26)15-7-9-16(22)10-8-15/h2-12H,13H2,1H3