N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C18H13ClF3N3O2S MolecularWeight: 427.82793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3N3O2S/c19-13-8-11(18(20,21)22)9-24-17(13)28-6-5-23-16(27)14-7-10-3-1-2-4-12(10)15(26)25-14/h1-4,7-9H,5-6H2,(H,23,27)(H,25,26)