6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-iodanyl-2-methyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-iodanyl-2-methyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-4-iodo-2-methyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-iodo-2-methyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-iodo-2-methylcyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-4-iodo-2-methyl-cyclohexa-2,4-dien-1-one Formula: C21H15IN2OS MolecularWeight: 470.32607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C1=O)I

Isomeric SMILES

CC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C1=O)I

InChI

InChI=1S/C21H15IN2OS/c1-13-10-16(22)11-15(20(13)25)12-23-17-8-6-14(7-9-17)21-24-18-4-2-3-5-19(18)26-21/h2-12,23H,1H3