3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Openeye Name: 3-[[5-(4-bromophenyl)-2-furyl]methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole CAS Name: 3-[[5-(4-bromophenyl)-2-furanyl]methylthio]-4-methyl-5-phenyl-1,2,4-triazole IUPAC Name: 3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole Traditional Name: 3-[[5-(4-bromophenyl)-2-furyl]methylthio]-4-methyl-5-phenyl-1,2,4-triazole Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(O2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H16BrN3OS/c1-24-19(15-5-3-2-4-6-15)22-23-20(24)26-13-17-11-12-18(25-17)14-7-9-16(21)10-8-14/h2-12H,13H2,1H3