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

Systemtic Name: 1-[2-ethanoyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-imidazol-1-yl-butan-1-one Openeye Name: 1-(2-acetyl-5,5-dioxo-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one CAS Name: 1-(2-acetyl-5,5-dioxo-10-phenothiazinyl)-4-(1-imidazolyl)-1-butanone IUPAC Name: 1-(2-acetyl-5,5-dioxophenothiazin-10-yl)-4-imidazol-1-ylbutan-1-one Traditional Name: 1-(2-acetyl-5,5-diketo-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3N2C(=O)CCCN4C=CN=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3N2C(=O)CCCN4C=CN=C4

InChI

InChI=1S/C21H19N3O4S/c1-15(25)16-8-9-20-18(13-16)24(17-5-2-3-6-19(17)29(20,27)28)21(26)7-4-11-23-12-10-22-14-23/h2-3,5-6,8-10,12-14H,4,7,11H2,1H3