bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3,4-thiadiazol-2-ylidene]azanium

Systemtic Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3,4-thiadiazol-2-ylidene]azanium Openeye Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3,4-thiadiazol-2-ylidene]ammonium CAS Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3,4-thiadiazol-2-ylidene]ammonium IUPAC Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3,4-thiadiazol-2-ylidene]azanium Traditional Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3,4-thiadiazol-2-ylidene]ammonium Formula: C11H16N5O3S2+ MolecularWeight: 330.40644

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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/p+1