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

Systemtic Name: 2-methyl-5-methylsulfanyl-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 2-methyl-5-methylsulfanyl-3-oxo-isothiazole-4-carbonitrile CAS Name: 2-methyl-5-(methylthio)-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 2-methyl-5-methylsulfanyl-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 3-keto-2-methyl-5-(methylthio)-4-isothiazoline-4-carbonitrile Formula: C6H6N2OS2 MolecularWeight: 186.25464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N2OS2/c1-8-5(9)4(3-7)6(10-2)11-8/h1-2H3