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

Systemtic Name: 4-(benzimidazol-1-yl)-1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]butan-1-one Openeye Name: 4-(benzimidazol-1-yl)-1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)butan-1-one CAS Name: 4-(1-benzimidazolyl)-1-(2-chloro-5,5-dioxo-10-phenothiazinyl)-1-butanone IUPAC Name: 4-(benzimidazol-1-yl)-1-(2-chloro-5,5-dioxophenothiazin-10-yl)butan-1-one Traditional Name: 4-(benzimidazol-1-yl)-1-(2-chloro-5,5-diketo-phenothiazin-10-yl)butan-1-one Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCCC(=O)N3C4=CC=CC=C4S(=O)(=O)C5=C3C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCCC(=O)N3C4=CC=CC=C4S(=O)(=O)C5=C3C=C(C=C5)Cl

InChI

InChI=1S/C23H18ClN3O3S/c24-16-11-12-22-20(14-16)27(19-8-3-4-9-21(19)31(22,29)30)23(28)10-5-13-26-15-25-17-6-1-2-7-18(17)26/h1-4,6-9,11-12,14-15H,5,10,13H2