3-(3-phenyl-2H-1,2,3,4-thiatriazol-3-ium-5-ylidene)hexane-2,4-dione

Systemtic Name: 3-(3-phenyl-2H-1,2,3,4-thiatriazol-3-ium-5-ylidene)hexane-2,4-dione Openeye Name: 3-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)hexane-2,4-dione CAS Name: 3-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)hexane-2,4-dione IUPAC Name: 3-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)hexane-2,4-dione Traditional Name: 3-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)hexane-2,4-dione Formula: C13H14N3O2S+ MolecularWeight: 276.33416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=C1N=[N+](NS1)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCC(=O)C(=C1N=[N+](NS1)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C13H13N3O2S/c1-3-11(18)12(9(2)17)13-14-16(15-19-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/p+1