3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazole Formula: C21H17BrClN3O2S MolecularWeight: 490.80058

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17BrClN3O2S/c22-16-5-9-18(10-6-16)28-12-13-29-21-25-24-20(15-3-7-17(23)8-4-15)26(21)14-19-2-1-11-27-19/h1-11H,12-14H2