2-[(4-methylphenyl)methylsulfanyl]-7-oxidanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-olate

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-7-oxidanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-olate Openeye Name: 7-oxo-2-(p-tolylmethylsulfanyl)-4H-thiazolo[4,5-d]pyrimidin-5-olate CAS Name: 2-[(4-methylphenyl)methylthio]-7-oxo-4H-thiazolo[4,5-d]pyrimidin-5-olate IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-7-oxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-olate Traditional Name: 7-keto-2-[(4-methylbenzyl)thio]-4H-thiazolo[4,5-d]pyrimidin-5-olate Formula: C13H10N3O2S2- MolecularWeight: 304.3674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C(=O)N=C(N3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(S2)C(=O)N=C(N3)[O-]

InChI

InChI=1S/C13H11N3O2S2/c1-7-2-4-8(5-3-7)6-19-13-15-10-9(20-13)11(17)16-12(18)14-10/h2-5H,6H2,1H3,(H2,14,16,17,18)/p-1