2-azanyl-3-[6-[[8-(trifluoromethyl)isoquinolin-4-yl]sulfanylmethyl]pyridin-2-yl]propanamide

Systemtic Name: 2-azanyl-3-[6-[[8-(trifluoromethyl)isoquinolin-4-yl]sulfanylmethyl]pyridin-2-yl]propanamide Openeye Name: 2-amino-3-[6-[[8-(trifluoromethyl)-4-isoquinolyl]sulfanylmethyl]-2-pyridyl]propanamide CAS Name: 2-amino-3-[6-[[[8-(trifluoromethyl)-4-isoquinolinyl]thio]methyl]-2-pyridinyl]propanamide IUPAC Name: 2-amino-3-[6-[[8-(trifluoromethyl)isoquinolin-4-yl]sulfanylmethyl]pyridin-2-yl]propanamide Traditional Name: 2-amino-3-[6-[[[8-(trifluoromethyl)-4-isoquinolyl]thio]methyl]-2-pyridyl]propionamide Formula: C19H17F3N4OS MolecularWeight: 406.42469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CSC2=C3C=CC=C(C3=CN=C2)C(F)(F)F)CC(C(=O)N)N

Isomeric SMILES

C1=CC(=NC(=C1)CSC2=C3C=CC=C(C3=CN=C2)C(F)(F)F)CC(C(=O)N)N

InChI

InChI=1S/C19H17F3N4OS/c20-19(21,22)15-6-2-5-13-14(15)8-25-9-17(13)28-10-12-4-1-3-11(26-12)7-16(23)18(24)27/h1-6,8-9,16H,7,10,23H2,(H2,24,27)