4-methyl-5-phenyl-3H-1,3,4-thiadiazol-4-ium-2-one

Systemtic Name: 4-methyl-5-phenyl-3H-1,3,4-thiadiazol-4-ium-2-one Openeye Name: 4-methyl-5-phenyl-3H-1,3,4-thiadiazol-4-ium-2-one CAS Name: 4-methyl-5-phenyl-3H-1,3,4-thiadiazol-4-ium-2-one IUPAC Name: 4-methyl-5-phenyl-3H-1,3,4-thiadiazol-4-ium-2-one Traditional Name: 4-methyl-5-phenyl-3H-1,3,4-thiadiazol-4-ium-2-one Formula: C9H9N2OS+ MolecularWeight: 193.24556

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=O)N1)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=C(SC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C9H8N2OS/c1-11-8(13-9(12)10-11)7-5-3-2-4-6-7/h2-6H,1H3/p+1