(4E)-2-oxidanyl-4-(7-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-2-oxidanyl-4-(7-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-hydroxy-4-(7-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-hydroxy-4-(7-mercapto-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-hydroxy-4-(7-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-hydroxy-4-(7-mercapto-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene)cyclohexa-2,5-dien-1-one Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=C2C=C(N3C(=N2)C=CN3)S)O

Isomeric SMILES

C\1=CC(=O)C(=C/C1=C/2\C=C(N3C(=N2)C=CN3)S)O

InChI

InChI=1S/C12H9N3O2S/c16-9-2-1-7(5-10(9)17)8-6-12(18)15-11(14-8)3-4-13-15/h1-6,13,17-18H/b8-7+