1-oxidanylidene-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isothiochromene-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isothiochromene-3-carboxamide Openeye Name: 1-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]isothiochromene-3-carboxamide CAS Name: 1-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-thiazolyl]-2-benzothiopyran-3-carboxamide IUPAC Name: 1-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isothiochromene-3-carboxamide Traditional Name: 1-keto-N-[5-[3-(trifluoromethyl)benzyl]thiazol-2-yl]isothiochromene-3-carboxamide Formula: C21H13F3N2O2S2 MolecularWeight: 446.46533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O2S2/c22-21(23,24)14-6-3-4-12(8-14)9-15-11-25-20(29-15)26-18(27)17-10-13-5-1-2-7-16(13)19(28)30-17/h1-8,10-11H,9H2,(H,25,26,27)