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

Systemtic Name: 6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-iodanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]-4-iodo-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-4-iodo-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-iodocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]methylene]-4-iodo-cyclohexa-2,4-dien-1-one Formula: C16H13IN2OS2 MolecularWeight: 440.32169

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)I

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)I

InChI

InChI=1S/C16H13IN2OS2/c1-2-21-16-19-13-5-4-12(8-15(13)22-16)18-9-10-7-11(17)3-6-14(10)20/h3-9,18H,2H2,1H3