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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(3-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(=CC=C3)Br)C4=CC=CO4

Isomeric SMILES

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

InChI

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