ethyl 4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(4-fluorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(4-fluorophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H19FN4O3S MolecularWeight: 366.410463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H19FN4O3S/c1-2-23-15(22)20-9-7-19(8-10-20)11-21-16(25)24-14(18-21)12-3-5-13(17)6-4-12/h3-6H,2,7-11H2,1H3