1-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-(3-fluoranyl-4-methyl-phenyl)prop-2-yn-1-one

Systemtic Name: 1-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-(3-fluoranyl-4-methyl-phenyl)prop-2-yn-1-one Openeye Name: 1-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-(3-fluoro-4-methyl-phenyl)prop-2-yn-1-one CAS Name: 1-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-3-(3-fluoro-4-methylphenyl)-2-propyn-1-one IUPAC Name: 1-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-(3-fluoro-4-methylphenyl)prop-2-yn-1-one Traditional Name: 1-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazino]-3-(3-fluoro-4-methyl-phenyl)prop-2-yn-1-one Formula: C20H23FN4OS MolecularWeight: 386.486223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC(=NS3)C(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC(=NS3)C(C)(C)C)F

InChI

InChI=1S/C20H23FN4OS/c1-14-5-6-15(13-16(14)21)7-8-17(26)24-9-11-25(12-10-24)19-22-18(23-27-19)20(2,3)4/h5-6,13H,9-12H2,1-4H3