5-ethynyl-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide

HCID 74372178
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
C#Cc1cncc(C(=O)N=S(C)(=O)c2ccccc2)c1
InChIKey
OWMPJONOYYDVBO-UHFFFAOYSA-N
Molecular formula
C15H12N2O2S
Average molar mass
284.3 g/mol

Names & identifiers

Preferred name
5-ethynyl-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide
IUPAC
5-ethynyl-N-(methyl-oxo-phenyl-λ6-sulfanylidene)pyridine-3-carboxamide

Names & synonyms

SCHEMBL834847OWMPJONOYYDVBO-UHFFFAOYSA-N5-ethynyl-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide

Database identifiers

PubChem CID
74372178

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
67.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
20

Related reactions

10 records
New reaction record

Compound notes

Loading…