1-(2-ethanoyl-5-oxidanylidene-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one

Systemtic Name: 1-(2-ethanoyl-5-oxidanylidene-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one Openeye Name: 1-(2-acetyl-5-oxo-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one CAS Name: 1-(2-acetyl-5-oxo-10-phenothiazinyl)-4-(1-imidazolyl)-1-butanone IUPAC Name: 1-(2-acetyl-5-oxophenothiazin-10-yl)-4-imidazol-1-ylbutan-1-one Traditional Name: 1-(2-acetyl-5-keto-phenothiazin-10-yl)-4-imidazol-1-yl-butan-1-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2C(=O)CCCN4C=CN=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2C(=O)CCCN4C=CN=C4

InChI

InChI=1S/C21H19N3O3S/c1-15(25)16-8-9-20-18(13-16)24(17-5-2-3-6-19(17)28(20)27)21(26)7-4-11-23-12-10-22-14-23/h2-3,5-6,8-10,12-14H,4,7,11H2,1H3