N-[[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanyl]carbamate

Systemtic Name: N-[[1-oxidanylidene-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanyl]carbamate Openeye Name: N-[[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanyl]carbamate CAS Name: N-[[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]thio]carbamate IUPAC Name: N-[[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]sulfanyl]carbamate Traditional Name: N-[[1-keto-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]thio]carbamate Formula: C17H10F3N2O3S- MolecularWeight: 379.33311

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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)/p-1