3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-bromophenoxy)ethylthio]-5-(4-chlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H14BrClN4OS MolecularWeight: 425.73056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C16H14BrClN4OS/c17-12-3-7-14(8-4-12)23-9-10-24-16-21-20-15(22(16)19)11-1-5-13(18)6-2-11/h1-8H,9-10,19H2