N-[[(5S)-3-[4-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)carbothioyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[(5S)-3-[4-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)carbothioyl]piperazin-1-yl]-3-fluoranyl-phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[(5S)-3-[4-[4-(5-ethyl-1H-1,2,4-triazole-3-carbothioyl)piperazin-1-yl]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[(5S)-3-[4-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)-sulfanylidenemethyl]-1-piperazinyl]-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[(5S)-3-[4-[4-(5-ethyl-1H-1,2,4-triazole-3-carbothioyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[(5S)-3-[4-[4-(5-ethyl-1H-1,2,4-triazole-3-carbothioyl)piperazino]-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]thioacetamide Formula: C21H26FN7O2S2 MolecularWeight: 491.605243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)C(=S)N2CCN(CC2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=S)C)F

Isomeric SMILES

CCC1=NC(=NN1)C(=S)N2CCN(CC2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CNC(=S)C)F

InChI

InChI=1S/C21H26FN7O2S2/c1-3-18-24-19(26-25-18)20(33)28-8-6-27(7-9-28)17-5-4-14(10-16(17)22)29-12-15(31-21(29)30)11-23-13(2)32/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,23,32)(H,24,25,26)/t15-/m0/s1