5-[3-(4-fluoranylphenoxy)propylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[3-(4-fluoranylphenoxy)propylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[3-(4-fluorophenoxy)propylsulfanyl]-N-(4-isopropylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[3-(4-fluorophenoxy)propylthio]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[3-(4-fluorophenoxy)propylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[3-(4-fluorophenoxy)propylthio]-1,3,4-thiadiazol-2-yl]-p-cumenyl-amine Formula: C20H22FN3OS2 MolecularWeight: 403.536583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCCCOC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN3OS2/c1-14(2)15-4-8-17(9-5-15)22-19-23-24-20(27-19)26-13-3-12-25-18-10-6-16(21)7-11-18/h4-11,14H,3,12-13H2,1-2H3,(H,22,23)