N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-1-keto-isochroman-3-carboxamide Formula: C18H14ClF3N2O3S MolecularWeight: 430.82857

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)NCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N2O3S/c19-13-8-11(18(20,21)22)9-24-16(13)28-6-5-23-15(25)14-7-10-3-1-2-4-12(10)17(26)27-14/h1-4,8-9,14H,5-7H2,(H,23,25)