N-[5-(2-fluoranylpyridin-3-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

Systemtic Name: N-[5-(2-fluoranylpyridin-3-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[5-(2-fluoro-3-pyridyl)-3-(2-methoxyethyl)thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[5-(2-fluoro-3-pyridinyl)-3-(2-methoxyethyl)-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[5-(2-fluoropyridin-3-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[5-(2-fluoro-3-pyridyl)-3-(2-methoxyethyl)-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=C(N=CC=C5)F

Isomeric SMILES

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=C(N=CC=C5)F

InChI

InChI=1S/C22H26FN3O2S/c1-28-6-5-26-13-18(17-3-2-4-24-19(17)23)29-21(26)25-20(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h2-4,13-16H,5-12H2,1H3