N-(3-methylsulfanylphenyl)-7-oxidanylidene-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-7-oxidanylidene-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-7-oxo-4H-isothiazolo[4,3-d]pyrimidine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-7-oxo-4H-isothiazolo[4,3-d]pyrimidine-3-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-7-oxo-4H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide Traditional Name: 7-keto-N-[3-(methylthio)phenyl]-4H-isothiazolo[4,3-d]pyrimidine-3-carboxamide Formula: C13H10N4O2S2 MolecularWeight: 318.3741

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C3C(=NS2)C(=O)N=CN3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C3C(=NS2)C(=O)N=CN3

InChI

InChI=1S/C13H10N4O2S2/c1-20-8-4-2-3-7(5-8)16-13(19)11-9-10(17-21-11)12(18)15-6-14-9/h2-6H,1H3,(H,16,19)(H,14,15,18)