1-[5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-(2-methylimidazol-1-yl)butan-1-one

Systemtic Name: 1-[5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-(2-methylimidazol-1-yl)butan-1-one Openeye Name: 1-(5,5-dioxophenothiazin-10-yl)-4-(2-methylimidazol-1-yl)butan-1-one CAS Name: 1-(5,5-dioxo-10-phenothiazinyl)-4-(2-methyl-1-imidazolyl)-1-butanone IUPAC Name: 1-(5,5-dioxophenothiazin-10-yl)-4-(2-methylimidazol-1-yl)butan-1-one Traditional Name: 1-(5,5-diketophenothiazin-10-yl)-4-(2-methylimidazol-1-yl)butan-1-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCC(=O)N2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42

Isomeric SMILES

CC1=NC=CN1CCCC(=O)N2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C42

InChI

InChI=1S/C20H19N3O3S/c1-15-21-12-14-22(15)13-6-11-20(24)23-16-7-2-4-9-18(16)27(25,26)19-10-5-3-8-17(19)23/h2-5,7-10,12,14H,6,11,13H2,1H3