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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(o-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(2-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(2-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-bromophenoxy)ethylthio]-5-(o-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN4OS/c1-12-4-2-3-5-15(12)16-20-21-17(22(16)19)24-11-10-23-14-8-6-13(18)7-9-14/h2-9H,10-11,19H2,1H3