3-(benzimidazol-1-yl)-1-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-(2-chloro-5-oxo-phenothiazin-10-yl)propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-(2-chloro-5-oxo-10-phenothiazinyl)-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-(2-chloro-5-oxophenothiazin-10-yl)propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-(2-chloro-5-keto-phenothiazin-10-yl)propan-1-one Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCC(=O)N3C4=CC=CC=C4S(=O)C5=C3C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCC(=O)N3C4=CC=CC=C4S(=O)C5=C3C=C(C=C5)Cl

InChI

InChI=1S/C22H16ClN3O2S/c23-15-9-10-21-19(13-15)26(18-7-3-4-8-20(18)29(21)28)22(27)11-12-25-14-24-16-5-1-2-6-17(16)25/h1-10,13-14H,11-12H2