3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H16BrN3O2S/c21-15-8-10-17(11-9-15)25-13-14-27-20-23-22-19(18-7-4-12-26-18)24(20)16-5-2-1-3-6-16/h1-12H,13-14H2