3-butylperoxysulfanyl-5-methyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-butylperoxysulfanyl-5-methyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-butylperoxysulfanyl-5-methyl-isothiazole-4-carbonitrile CAS Name: 4-cyano-5-methyl-3-isothiazolesulfenic acid butoxy ester IUPAC Name: 3-butylperoxysulfanyl-5-methyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(butylperoxythio)-5-methyl-isothiazole-4-carbonitrile Formula: C9H12N2O2S2 MolecularWeight: 244.33378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOOSC1=NSC(=C1C#N)C

Isomeric SMILES

CCCCOOSC1=NSC(=C1C#N)C

InChI

InChI=1S/C9H12N2O2S2/c1-3-4-5-12-13-15-9-8(6-10)7(2)14-11-9/h3-5H2,1-2H3