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

Systemtic Name: 1-phenyl-2-(3-phenyl-2H-1,2,3,4-thiatriazol-3-ium-5-ylidene)butane-1,3-dione Openeye Name: 1-phenyl-2-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)butane-1,3-dione CAS Name: 1-phenyl-2-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)butane-1,3-dione IUPAC Name: 1-phenyl-2-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)butane-1,3-dione Traditional Name: 1-phenyl-2-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)butane-1,3-dione Formula: C17H14N3O2S+ MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1N=[N+](NS1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C(=C1N=[N+](NS1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2S/c1-12(21)15(16(22)13-8-4-2-5-9-13)17-18-20(19-23-17)14-10-6-3-7-11-14/h2-11H,1H3/p+1