6-(1,3-benzothiazol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-benzothiazol-5-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzothiazol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzothiazol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzothiazol-5-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzothiazol-5-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C12H6N4OS MolecularWeight: 254.26724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C3=C(C(=O)N=CN3)C#N)N=CS2

Isomeric SMILES

C1=CC2=C(C=C1C3=C(C(=O)N=CN3)C#N)N=CS2

InChI

InChI=1S/C12H6N4OS/c13-4-8-11(14-5-15-12(8)17)7-1-2-10-9(3-7)16-6-18-10/h1-3,5-6H,(H,14,15,17)