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

Systemtic Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3-thiazol-2-ylidene]azanium Openeye Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)thiazol-2-ylidene]ammonium CAS Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-2-thiazolylidene]ammonium IUPAC Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-1,3-thiazol-2-ylidene]azanium Traditional Name: bis(2-cyanoethyl)-[3-(3-sulfopropyl)-4-thiazolin-2-ylidene]ammonium Formula: C12H17N4O3S2+ MolecularWeight: 329.41838

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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/p+1