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

Systemtic Name: 5-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-N-isobutyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-fluoro-4-methoxyphenyl)methylthio]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-fluoro-4-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-isobutyl-amine Formula: C14H18FN3OS2 MolecularWeight: 327.440623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C14H18FN3OS2/c1-9(2)7-16-13-17-18-14(21-13)20-8-10-4-5-12(19-3)11(15)6-10/h4-6,9H,7-8H2,1-3H3,(H,16,17)