3-(2-azanyl-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(2-azanyl-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)propane-1-sulfonate Formula: C11H13N3O3S2 MolecularWeight: 299.36922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H13N3O3S2/c12-11-14(7-4-8-19(15,16)17)13-10(18-11)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H,15,16,17)