5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylthio]-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-bromo-4-methoxy-benzyl)thio]-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)SCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H18BrN3OS2/c1-3-4-7-16-13-17-18-14(21-13)20-9-10-5-6-12(19-2)11(15)8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)