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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C14H12BrN3OS2 MolecularWeight: 382.29858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H12BrN3OS2/c15-10-3-5-11(6-4-10)19-7-9-21-14-16-13(17-18-14)12-2-1-8-20-12/h1-6,8H,7,9H2,(H,16,17,18)