2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

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Basic information

Standard SMILES: N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(O)cc1
InChIKey: IFPNWUPLRFRCRO-UHFFFAOYSA-N
Molecular formula: C20H14N4OS
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.08883226

Names & identifiers

Preferred name: 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
IUPAC: 2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

Names & synonyms

221178-97-82-amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile2-amino-6-(benzylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrileNSC707694ChemDiv1_005833Oprea1_087599Oprea1_430539SCHEMBL3597566CHEMBL1984635HMS603J03IFPNWUPLRFRCRO-UHFFFAOYSA-NCCG-17727

Show more names

MFCD00366067STL1157672-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrileAKOS000522909NSC-707694NCI60_038235ST051022ZINC000019805695

Database identifiers

PubChem CID: 398162
ChEMBL: CHEMBL1984635

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 132 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 553

Related reactions

1 records

New reaction record

HRID 2362814As reactantuspto-grants-2014_04

Compound notes

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