5-[[2,6-bis(chloranyl)pyrimidin-4-yl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[[2,6-bis(chloranyl)pyrimidin-4-yl]amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-[(2,6-dichloropyrimidin-4-yl)amino]-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-[(2,6-dichloro-4-pyrimidinyl)amino]-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-[(2,6-dichloropyrimidin-4-yl)amino]-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-[(2,6-dichloropyrimidin-4-yl)amino]-3-keto-4-isothiazoline-4-carbonitrile Formula: C8H3Cl2N5OS MolecularWeight: 288.11332

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1Cl)Cl)NC2=C(C(=O)NS2)C#N

Isomeric SMILES

C1=C(N=C(N=C1Cl)Cl)NC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C8H3Cl2N5OS/c9-4-1-5(14-8(10)12-4)13-7-3(2-11)6(16)15-17-7/h1H,(H,15,16)(H,12,13,14)