1-Phenyltriazolylmethyl-3-methoxypyridine-2-thione

HCID 178487643
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Basic information

Standard SMILES
COc1c(Cc2c[nH]nn2)ccn(-c2ccccc2)c1=S
InChIKey
VLNCBLKYELDING-UHFFFAOYSA-N
Molecular formula
C15H14N4OS
Average molar mass
298.4 g/mol
Monoisotopic mass
298.08883226

Names & identifiers

Preferred name
1-Phenyltriazolylmethyl-3-methoxypyridine-2-thione
IUPAC
3-methoxy-1-phenyl-4-(2H-triazol-4-ylmethyl)pyridine-2-thione

Names & synonyms

SCHEMBL14322586VLNCBLKYELDING-UHFFFAOYSA-N1-Phenyltriazolylmethyl-3-methoxypyridine-2-thione

Database identifiers

PubChem CID
71138912

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
86.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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