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

Systemtic Name: 1-[2-chloranyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]-4-imidazol-1-yl-butan-1-one Openeye Name: 1-(2-chloro-5,5-dioxo-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one CAS Name: 1-(2-chloro-5,5-dioxo-10-phenothiazinyl)-4-(1-imidazolyl)-1-butanone IUPAC Name: 1-(2-chloro-5,5-dioxophenothiazin-10-yl)-4-imidazol-1-ylbutan-1-one Traditional Name: 1-(2-chloro-5,5-diketo-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCCN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2(=O)=O)C=CC(=C3)Cl)C(=O)CCCN4C=CN=C4

InChI

InChI=1S/C19H16ClN3O3S/c20-14-7-8-18-16(12-14)23(15-4-1-2-5-17(15)27(18,25)26)19(24)6-3-10-22-11-9-21-13-22/h1-2,4-5,7-9,11-13H,3,6,10H2