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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[2-(4-bromophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[2-(4-bromophenoxy)ethylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C21H18BrN3OS2 MolecularWeight: 472.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C21H18BrN3OS2/c22-17-8-10-18(11-9-17)26-12-14-28-21-24-23-20(19-7-4-13-27-19)25(21)15-16-5-2-1-3-6-16/h1-11,13H,12,14-15H2