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

Systemtic Name: 5-[2-(3-bromanylphenoxy)ethylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(3-bromophenoxy)ethylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(3-bromophenoxy)ethylthio]-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(3-bromophenoxy)ethylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(3-bromophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]-butyl-amine Formula: C14H18BrN3OS2 MolecularWeight: 388.34622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCNC1=NN=C(S1)SCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrN3OS2/c1-2-3-7-16-13-17-18-14(21-13)20-9-8-19-12-6-4-5-11(15)10-12/h4-6,10H,2-3,7-9H2,1H3,(H,16,17)