(2-chloranyl-4-fluoranyl-phenyl)methyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C20H18ClFN4O2S MolecularWeight: 432.898923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)OCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)OCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C20H18ClFN4O2S/c21-17-12-16(22)7-6-15(17)13-28-20(27)26-10-8-25(9-11-26)19-23-18(24-29-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2