[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanylcarbamic acid

Systemtic Name: [1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanylcarbamic acid Openeye Name: [1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanylcarbamic acid CAS Name: [[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]thio]carbamic acid IUPAC Name: [1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanylcarbamic acid Traditional Name: [[1-keto-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]thio]carbamic acid Formula: C17H11F3N2O3S MolecularWeight: 380.34105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)SNC(=O)O)C(=O)N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C(C=C3)SNC(=O)O)C(=O)N2)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O3S/c18-17(19,20)13-4-2-1-3-11(13)14-7-9-5-6-10(26-22-16(24)25)8-12(9)15(23)21-14/h1-8,22H,(H,21,23)(H,24,25)