Chemical Components in the PDB

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7Y3 : Summary

Code

7Y3

One-letter code

X

Molecule name

1-(5-bromanylthiophen-2-yl)sulfonylpyrazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole

Formula

C7 H5 Br N2 O2 S2

Formal charge

0

Molecular weight

293.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Brc1sc(cc1)[S](=O)(=O)n2cccn2
SMILES OpenEye OEToolkits 2.0.6 c1cnn(c1)S(=O)(=O)c2ccc(s2)Br
Canonical SMILES CACTVS 3.385 Brc1sc(cc1)[S](=O)(=O)n2cccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cnn(c1)S(=O)(=O)c2ccc(s2)Br

IUPAC InChI

InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H

IUPAC InChI key

MLRBBGFHILYDBK-UHFFFAOYSA-N
7Y3

wwPDB Information

Atom count

19 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-08

Last modified at

2018-01-19

Status

Released

Obsoleted

Not Assigned