1-(4-fluorophenyl)-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-one Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(4-fluorophenyl)butan-1-one Formula: C18H16FN3OS2 MolecularWeight: 373.467543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3OS2/c19-14-10-8-13(9-11-14)16(23)7-4-12-24-18-22-21-17(25-18)20-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H,20,21)