1-ethyl-2-oxidanyl-3-[(4Z)-5-oxidanylidene-4-[(1,3-thiazol-2-ylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one

Systemtic Name: 1-ethyl-2-oxidanyl-3-[(4Z)-5-oxidanylidene-4-[(1,3-thiazol-2-ylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one Openeye Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-[(thiazol-2-ylamino)methylene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one CAS Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-[(2-thiazolylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-oxo-4-[(1,3-thiazol-2-ylamino)methylidene]-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-keto-4-[(thiazol-2-ylamino)methylene]-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C18H16N5O3S+ MolecularWeight: 382.41634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(=O)C3=CNC4=NC=CS4)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C\3=NNC(=O)/C3=C\NC4=NC=CS4)O

InChI

InChI=1S/C18H15N5O3S/c1-2-23-12-6-4-3-5-10(12)15(24)13(17(23)26)14-11(16(25)22-21-14)9-20-18-19-7-8-27-18/h3-9,13H,2H2,1H3,(H2,19,20,21,22,25)/p+1