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

Systemtic Name: 1-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H15BrClN3O2S MolecularWeight: 488.7847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H15BrClN3O2S/c22-16-6-1-4-14(10-16)19(27)13-29-21-25-24-20(15-5-2-7-17(23)11-15)26(21)12-18-8-3-9-28-18/h1-11H,12-13H2