3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3,4-thiadiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3,4-thiadiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[bis(2-cyanoethyl)iminio]-1,3,4-thiadiazol-3-yl]propane-1-sulfonate CAS Name: 3-[2-[bis(2-cyanoethyl)iminio]-1,3,4-thiadiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[bis(2-cyanoethyl)azaniumylidene]-1,3,4-thiadiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[bis(2-cyanoethyl)iminio]-1,3,4-thiadiazol-3-yl]propane-1-sulfonate Formula: C11H15N5O3S2 MolecularWeight: 329.3985

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=[N+](CCC#N)CCC#N)S1)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=NN(C(=[N+](CCC#N)CCC#N)S1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H15N5O3S2/c12-4-1-6-15(7-2-5-13)11-16(14-10-20-11)8-3-9-21(17,18)19/h10H,1-3,6-9H2