4-chloranyl-2-methyl-3-oxidanylidene-1,2-thiazole-5-carbonitrile

Systemtic Name: 4-chloranyl-2-methyl-3-oxidanylidene-1,2-thiazole-5-carbonitrile Openeye Name: 4-chloro-2-methyl-3-oxo-isothiazole-5-carbonitrile CAS Name: 4-chloro-2-methyl-3-oxo-5-isothiazolecarbonitrile IUPAC Name: 4-chloro-2-methyl-3-oxo-1,2-thiazole-5-carbonitrile Traditional Name: 4-chloro-3-keto-2-methyl-4-isothiazoline-5-carbonitrile Formula: C5H3ClN2OS MolecularWeight: 174.60812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(S1)C#N)Cl

Isomeric SMILES

CN1C(=O)C(=C(S1)C#N)Cl

InChI

InChI=1S/C5H3ClN2OS/c1-8-5(9)4(6)3(2-7)10-8/h1H3