(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]azanium

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]azanium Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-[[5-(2-pyridylsulfanyl)-2-furyl]methylene]ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-[[5-(2-pyridinylthio)-2-furanyl]methylidene]ammonium IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]azanium Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-[[5-(2-pyridylthio)-2-furyl]methylene]ammonium Formula: C21H19N4O2S+ MolecularWeight: 391.46616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH+]=CC3=CC=C(O3)SC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[NH+]=CC3=CC=C(O3)SC4=CC=CC=N4

InChI

InChI=1S/C21H18N4O2S/c1-15-20(21(26)25(24(15)2)16-8-4-3-5-9-16)23-14-17-11-12-19(27-17)28-18-10-6-7-13-22-18/h3-14H,1-2H3/p+1