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Substance Name: 3-(2-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-5-(methylthio)-1,3,4-thiadiazol-3(2H)-ylidene)propanesulphonic acid, compound with pyridine (1:1)
RN: 41504-10-3
InChIKey: OWMPOVHEMCXPPD-QCFDQMOTSA-N

Molecular Formula

  • C11-H15-N3-O4-S5.C5-H5-N

Molecular Weight

  • 490.6722
 
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Names and Synonyms

Synonym

  • EINECS 255-415-1

Systematic Name

  • 3-(2-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-5-(methylthio)-1,3,4-thiadiazol-3(2H)-ylidene)propanesulphonic acid, compound with pyridine (1:1)

Registry Numbers

CAS Registry Number

  • 41504-10-3

System Generated Number

  • 0041504103

Molecular Formulas

Molecular Formula

  • C11-H15-N3-O4-S5.C5-H5-N

Molecular Formula Fragments

  • C11-H15-N3-O4-S5
  • C5-H5-N
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13N3O4S5.C5H5N/c1-3-13-8(15)7(21-11(13)19)9-14(12-10(20-2)22-9)5-4-6-23(16,17)18;1-2-4-6-5-3-1/h5H,3-4,6H2,1-2H3;1-5H/b9-7-,14-5-;

InChIKey

OWMPOVHEMCXPPD-QCFDQMOTSA-N

Smiles

CCN1C(=O)/C(=c/2\[n+](=C\CCS(=O)(=O)[O-])\nc(s2)SC)/SC1=S.c1ccncc1