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H0J : Summary

Code

H0J

One-letter code

X

Molecule name

5-(pyridin-2-yl)thiophene-2-carbothioamide

Systematic names

ProgramVersionName
ACDLabs 12.01 5-(pyridin-2-yl)thiophene-2-carbothioamide
OpenEye OEToolkits 2.0.6 5-pyridin-2-ylthiophene-2-carbothioamide

Formula

C10 H8 N2 S2

Formal charge

0

Molecular weight

220.314 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c(c1sc(cc1)C(=S)N)cccc2
SMILES CACTVS 3.385 NC(=S)c1sc(cc1)c2ccccn2
SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)c2ccc(s2)C(=S)N
Canonical SMILES CACTVS 3.385 NC(=S)c1sc(cc1)c2ccccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccnc(c1)c2ccc(s2)C(=S)N

IUPAC InChI

InChI=1S/C10H8N2S2/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)

IUPAC InChI key

VOYHCOULKKDLRP-UHFFFAOYSA-N
H0J

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-08

Last modified at

2019-03-22

Status

Released

Obsoleted

Not Assigned