5,5-bis(oxidanylidene)-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide

Systemtic Name: 5,5-bis(oxidanylidene)-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide Openeye Name: 5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide CAS Name: 5,5-dioxo-N-[2-(1-pyrazolyl)phenyl]-4-dibenzothiophenecarboxamide IUPAC Name: 5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide Traditional Name: 5,5-diketo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide Formula: C22H15N3O3S MolecularWeight: 401.4378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2(=O)=O)C(=CC=C3)C(=O)NC4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2(=O)=O)C(=CC=C3)C(=O)NC4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C22H15N3O3S/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)29(27,28)21(16)17/h1-14H,(H,24,26)