5,7-diphenyl-2,5-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate

Systemtic Name: 5,7-diphenyl-2,5-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate Openeye Name: 5,7-diphenyl-2,5-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate CAS Name: 5,7-diphenyl-2,5-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate IUPAC Name: 5,7-diphenyl-2,5-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate Traditional Name: 5,7-diphenyl-2,5-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate Formula: C17H13N3S2 MolecularWeight: 323.43522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(N=C3[N+]2=NC(S3)[S-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C=C(N=C3[N+]2=NC(S3)[S-])C4=CC=CC=C4

InChI

InChI=1S/C17H13N3S2/c21-17-19-20-15(13-9-5-2-6-10-13)11-14(18-16(20)22-17)12-7-3-1-4-8-12/h1-11,15,17H