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

Systemtic Name: 1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-(2-methylimidazol-1-yl)butan-1-one Openeye Name: 1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)-4-(2-methylimidazol-1-yl)butan-1-one CAS Name: 1-(2-chloro-5,5-dioxo-10-phenothiazinyl)-4-(2-methyl-1-imidazolyl)-1-butanone IUPAC Name: 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-4-(2-methylimidazol-1-yl)butan-1-one Traditional Name: 1-(2-chloro-5,5-diketo-phenothiazin-10-yl)-4-(2-methylimidazol-1-yl)butan-1-one Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCCC(=O)N2C3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl

Isomeric SMILES

CC1=NC=CN1CCCC(=O)N2C3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-14-22-10-12-23(14)11-4-7-20(25)24-16-5-2-3-6-18(16)28(26,27)19-9-8-15(21)13-17(19)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3