4-imidazol-1-yl-1-(3-methoxy-5-oxidanylidene-phenothiazin-10-yl)butan-1-one

Systemtic Name: 4-imidazol-1-yl-1-(3-methoxy-5-oxidanylidene-phenothiazin-10-yl)butan-1-one Openeye Name: 4-imidazol-1-yl-1-(3-methoxy-5-oxo-phenothiazin-10-yl)butan-1-one CAS Name: 4-(1-imidazolyl)-1-(3-methoxy-5-oxo-10-phenothiazinyl)-1-butanone IUPAC Name: 4-imidazol-1-yl-1-(3-methoxy-5-oxophenothiazin-10-yl)butan-1-one Traditional Name: 4-imidazol-1-yl-1-(5-keto-3-methoxy-phenothiazin-10-yl)butan-1-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=CC=CC=C3S2=O)C(=O)CCCN4C=CN=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=CC=CC=C3S2=O)C(=O)CCCN4C=CN=C4

InChI

InChI=1S/C20H19N3O3S/c1-26-15-8-9-17-19(13-15)27(25)18-6-3-2-5-16(18)23(17)20(24)7-4-11-22-12-10-21-14-22/h2-3,5-6,8-10,12-14H,4,7,11H2,1H3