3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5OS/c22-17-8-6-16(7-9-17)20-23-24-21(29)27(20)11-10-19(28)26-14-12-25(13-15-26)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,24,29)