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3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3-thiazol-3-yl]propane-1-sulfonate

3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3-thiazol-3-yl]propane-1-sulfonate

Systemtic Name:3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3-thiazol-3-yl]propane-1-sulfonate
Openeye Name:3-[2-[bis(2-cyanoethyl)iminio]thiazol-3-yl]propane-1-sulfonate
CAS Name:3-[2-[bis(2-cyanoethyl)iminio]-3-thiazolyl]-1-propanesulfonate
IUPAC Name:3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3-thiazol-3-yl]propane-1-sulfonate
Traditional Name:3-[2-[bis(2-cyanoethyl)iminio]-4-thiazolin-3-yl]propane-1-sulfonate
Formula: C12H16N4O3S2
MolecularWeight: 328.41044
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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=[N+](CCC#N)CCC#N)N1CCCS(=O)(=O)[O-]


Isomeric SMILES

C1=CSC(=[N+](CCC#N)CCC#N)N1CCCS(=O)(=O)[O-]


InChI

InChI=1S/C12H16N4O3S2/c13-4-1-6-15(7-2-5-14)12-16(9-10-20-12)8-3-11-21(17,18)19/h9-10H,1-3,6-8,11H2


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