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

Systemtic Name: 6-[[[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]-4-iodanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylene]-4-iodo-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-[(4-bromophenyl)methylthio]-1,3-benzothiazol-6-yl]amino]methylidene]-4-iodo-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]-4-iodocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-[(4-bromobenzyl)thio]-1,3-benzothiazol-6-yl]amino]methylene]-4-iodo-cyclohexa-2,4-dien-1-one Formula: C21H14BrIN2OS2 MolecularWeight: 581.28713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)I)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)I)Br

InChI

InChI=1S/C21H14BrIN2OS2/c22-15-3-1-13(2-4-15)12-27-21-25-18-7-6-17(10-20(18)28-21)24-11-14-9-16(23)5-8-19(14)26/h1-11,24H,12H2