7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate

Systemtic Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate Openeye Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate CAS Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate IUPAC Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate Traditional Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate Formula: C12H9N3S2 MolecularWeight: 259.34996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(S2)[S-]

Isomeric SMILES

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(S2)[S-]

InChI

InChI=1S/C12H9N3S2/c1-8-7-10(9-5-3-2-4-6-9)15-11(13-8)17-12(16)14-15/h2-7H,1H3