Chemical Components in the PDB

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EIH : Summary

Code

EIH

One-letter code

X

Molecule name

2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

Formula

C17 H15 N5 S

Formal charge

0

Molecular weight

321.4 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4
SMILES OpenEye OEToolkits 2.0.7 Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4
Canonical SMILES CACTVS 3.385 Cn1cc(nc1CSc2nn3ccccc3n2)c4ccccc4
Canonical SMILES OpenEye OEToolkits 2.0.7 Cn1cc(nc1CSc2nc3ccccn3n2)c4ccccc4

IUPAC InChI

InChI=1S/C17H15N5S/c1-21-11-14(13-7-3-2-4-8-13)18-16(21)12-23-17-19-15-9-5-6-10-22(15)20-17/h2-11H,12H2,1H3

IUPAC InChI key

TTYKNXUXXPKQBV-UHFFFAOYSA-N
EIH

wwPDB Information

Atom count

38 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-01-06

Last modified at

2023-04-14

Status

Released

Obsoleted

Not Assigned