5-butyl-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-butyl-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-butyl-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-butyl-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-butyl-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-butyl-3-keto-4-isothiazoline-4-carbonitrile Formula: C8H10N2OS MolecularWeight: 182.2428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)NS1)C#N

Isomeric SMILES

CCCCC1=C(C(=O)NS1)C#N

InChI

InChI=1S/C8H10N2OS/c1-2-3-4-7-6(5-9)8(11)10-12-7/h2-4H2,1H3,(H,10,11)