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

Systemtic Name: 5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-fluoro-4-methoxyphenyl)methylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-fluoro-4-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C13H16FN3OS2 MolecularWeight: 313.414043

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C13H16FN3OS2/c1-3-6-15-12-16-17-13(20-12)19-8-9-4-5-11(18-2)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)