1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)-3-pyrazol-1-yl-propan-1-one CAS Name: 1-(2-chloro-5,5-dioxo-10-phenothiazinyl)-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-(2-chloro-5,5-diketo-phenothiazin-10-yl)-3-pyrazol-1-yl-propan-1-one Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCN4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCN4C=CC=N4

InChI

InChI=1S/C18H14ClN3O3S/c19-13-6-7-17-15(12-13)22(18(23)8-11-21-10-3-9-20-21)14-4-1-2-5-16(14)26(17,24)25/h1-7,9-10,12H,8,11H2