5-[2-(3-bromanylphenoxy)ethylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(3-bromanylphenoxy)ethylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[2-(3-bromophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(3-bromophenoxy)ethylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[2-(3-bromophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[2-(3-bromophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16BrN3OS2 MolecularWeight: 422.36244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3OS2/c18-14-7-4-8-15(11-14)22-9-10-23-17-21-20-16(24-17)19-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,20)