1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(4-fluorobenzoyl)piperazino]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C19H18FN5O2S2 MolecularWeight: 431.506923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=NNC2=S)C3=CC=CS3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=NNC2=S)C3=CC=CS3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN5O2S2/c20-14-5-3-13(4-6-14)18(27)24-9-7-23(8-10-24)16(26)12-25-17(21-22-19(25)28)15-2-1-11-29-15/h1-6,11H,7-10,12H2,(H,22,28)