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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C20H16BrN3OS2 MolecularWeight: 458.39454

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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=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C20H16BrN3OS2/c21-15-8-10-17(11-9-15)25-12-14-27-20-23-22-19(18-7-4-13-26-18)24(20)16-5-2-1-3-6-16/h1-11,13H,12,14H2