1-[2-(3-azanylpropyl)-5-(3-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[2-(3-azanylpropyl)-5-(3-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methyl-propan-1-one Openeye Name: 1-[2-(3-aminopropyl)-5-(3-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methyl-propan-1-one CAS Name: 1-[2-(3-aminopropyl)-5-(3-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methyl-1-propanone IUPAC Name: 1-[2-(3-aminopropyl)-5-(3-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methylpropan-1-one Traditional Name: 1-[2-(3-aminopropyl)-5-(3-fluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methyl-propan-1-one Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(SC(=N1)C2=CC(=CC=C2)F)(CCCN)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1C(SC(=N1)C2=CC(=CC=C2)F)(CCCN)C3=CC=CC=C3

InChI

InChI=1S/C21H24FN3OS/c1-15(2)20(26)25-21(12-7-13-23,17-9-4-3-5-10-17)27-19(24-25)16-8-6-11-18(22)14-16/h3-6,8-11,14-15H,7,12-13,23H2,1-2H3