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

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-phenyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[2-(3-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(=CC=C3)Br)C4=CC=CS4

Isomeric SMILES

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

InChI

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