4-(4-bromanyl-6-oxidanyl-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(4-bromanyl-6-oxidanyl-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-bromo-6-hydroxy-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(4-bromo-6-hydroxy-3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-bromo-6-hydroxy-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(4-bromo-6-hydroxy-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C13H8BrNO2S MolecularWeight: 322.17712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NC3=C(S2)C=C(C=C3Br)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NC3=C(S2)C=C(C=C3Br)O

InChI

InChI=1S/C13H8BrNO2S/c14-10-5-9(17)6-11-12(10)15-13(18-11)7-1-3-8(16)4-2-7/h1-6,15,17H