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

Systemtic Name: 1-[2-bromanyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-3-imidazol-1-yl-propan-1-one Openeye Name: 1-(2-bromo-5,5-dioxo-phenothiazin-10-yl)-3-imidazol-1-yl-propan-1-one CAS Name: 1-(2-bromo-5,5-dioxo-10-phenothiazinyl)-3-(1-imidazolyl)-1-propanone IUPAC Name: 1-(2-bromo-5,5-dioxophenothiazin-10-yl)-3-imidazol-1-ylpropan-1-one Traditional Name: 1-(2-bromo-5,5-diketo-phenothiazin-10-yl)-3-imidazol-1-yl-propan-1-one Formula: C18H14BrN3O3S MolecularWeight: 432.29106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Br)C(=O)CCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Br)C(=O)CCN4C=CN=C4

InChI

InChI=1S/C18H14BrN3O3S/c19-13-5-6-17-15(11-13)22(18(23)7-9-21-10-8-20-12-21)14-3-1-2-4-16(14)26(17,24)25/h1-6,8,10-12H,7,9H2