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8-oxidanyl-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile

Systemtic Name:	8-oxidanyl-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
Openeye Name:	8-hydroxy-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
CAS Name:	8-hydroxy-10-mercapto-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
IUPAC Name:	8-hydroxy-10-sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
Traditional Name:	8-hydroxy-10-mercapto-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile
Formula:	C₁₂H₁₃N₃OS
MolecularWeight:	247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(NC(=C2C#N)S)O)C#N

Isomeric SMILES

C1CCC2(CC1)C(=C(NC(=C2C#N)S)O)C#N

InChI

InChI=1S/C12H13N3OS/c13-6-8-10(16)15-11(17)9(7-14)12(8)4-2-1-3-5-12/h15-17H,1-5H2

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propan-2-yl 7-methyl-2-[[3-(3-methyl-4-propan-2-yloxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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