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

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

Isomeric SMILES

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

InChI

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