3-methyl-1-phenyl-thiopyrano[2,3-c]pyrazol-1-ium-5-carboxylic acid

Systemtic Name: 3-methyl-1-phenyl-thiopyrano[2,3-c]pyrazol-1-ium-5-carboxylic acid Openeye Name: 3-methyl-1-phenyl-thiopyrano[2,3-c]pyrazol-1-ium-5-carboxylic acid CAS Name: 3-methyl-1-phenyl-5-thiopyrano[2,3-c]pyrazol-1-iumcarboxylic acid IUPAC Name: 3-methyl-1-phenylthiopyrano[2,3-c]pyrazol-1-ium-5-carboxylic acid Traditional Name: 3-methyl-1-phenyl-thiopyrano[2,3-c]pyrazol-1-ium-5-carboxylic acid Formula: C14H11N2O2S+ MolecularWeight: 271.31434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C2C1=CC(=CS2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=N[N+](=C2C1=CC(=CS2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C14H10N2O2S/c1-9-12-7-10(14(17)18)8-19-13(12)16(15-9)11-5-3-2-4-6-11/h2-8H,1H3/p+1