3-(4-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(4-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(4-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one CAS Name: 3-(4-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(4-fluorophenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]prop-2-yn-1-one Formula: C21H17FN4OS MolecularWeight: 392.449283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C#CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C#CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4OS/c22-18-9-6-16(7-10-18)8-11-19(27)25-12-14-26(15-13-25)21-23-20(24-28-21)17-4-2-1-3-5-17/h1-7,9-10H,12-15H2