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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(1-naphthylmethyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(1-naphthalenylmethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-bromophenoxy)ethylthio]-5-(1-naphthylmethyl)-1,2,4-triazol-4-yl]amine Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3N)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4OS/c22-17-8-10-18(11-9-17)27-12-13-28-21-25-24-20(26(21)23)14-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14,23H2