3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-methyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-methyl-5-(2-thenyl)-1,2,4-triazole Formula: C16H16BrN3OS2 MolecularWeight: 410.35174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)Br)CC3=CC=CS3

InChI

InChI=1S/C16H16BrN3OS2/c1-20-15(11-14-3-2-9-22-14)18-19-16(20)23-10-8-21-13-6-4-12(17)5-7-13/h2-7,9H,8,10-11H2,1H3