(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-pyrazol-1-ylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-pyrazol-1-ylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C24H17N3O3S/c28-23(16-30-24(29)17-10-12-18(13-11-17)26-15-5-14-25-26)27-19-6-1-3-8-21(19)31-22-9-4-2-7-20(22)27/h1-15H,16H2