Basic information
- Standard SMILES
N#Cc1c2c(c(=O)n3c1[nH]c1ccccc13)CSCC2- InChIKey
OQZYQQFGAQJWRC-UHFFFAOYSA-N- Molecular formula
- C15H11N3OS
- Average molar mass
- 281.3 g/mol
Names & identifiers
- Preferred name
- 12-oxo-3,4,6,12-tetrahydro-1H-thiopyrano[4',3':4,5]pyrido[1,2-a]benzimidazole-5-carbonitrile
- IUPAC
- 9-oxo-6-thia-10,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),11,13,15-pentaene-2-carbonitrile
Names & synonyms
SCHEMBL14716177OQZYQQFGAQJWRC-UHFFFAOYSA-N12-oxo-3,4,6,12-tetrahydro-1H-thiopyrano[4',3':4,5]pyrido[1,2-a]benzimidazole-5-carbonitrile
Database identifiers
- PubChem CID
- 71268644
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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