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

Systemtic Name: bis(2-cyanoethyl)-[3-(4-sulfobutyl)-1,3,4-thiadiazol-2-ylidene]azanium Openeye Name: bis(2-cyanoethyl)-[3-(4-sulfobutyl)-1,3,4-thiadiazol-2-ylidene]ammonium CAS Name: bis(2-cyanoethyl)-[3-(4-sulfobutyl)-1,3,4-thiadiazol-2-ylidene]ammonium IUPAC Name: bis(2-cyanoethyl)-[3-(4-sulfobutyl)-1,3,4-thiadiazol-2-ylidene]azanium Traditional Name: bis(2-cyanoethyl)-[3-(4-sulfobutyl)-1,3,4-thiadiazol-2-ylidene]ammonium Formula: C12H18N5O3S2+ MolecularWeight: 344.43302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3S2/c13-5-3-7-16(8-4-6-14)12-17(15-11-21-12)9-1-2-10-22(18,19)20/h11H,1-4,7-10H2/p+1