cyano-dimethyl-[(4-oxidanylidene-3-propyl-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]azanium

Systemtic Name: cyano-dimethyl-[(4-oxidanylidene-3-propyl-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]azanium Openeye Name: cyano-dimethyl-[(4-oxo-3-propyl-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]ammonium CAS Name: cyano-[mercapto-(4-oxo-3-propyl-1-cyclohexa-2,5-dienylidene)methyl]-dimethylammonium IUPAC Name: cyano-dimethyl-[(4-oxo-3-propylcyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]azanium Traditional Name: cyano-[(4-keto-3-propyl-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]-dimethyl-ammonium Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C([N+](C)(C)C#N)S)C=CC1=O

Isomeric SMILES

CCCC1=CC(=C([N+](C)(C)C#N)S)C=CC1=O

InChI

InChI=1S/C13H16N2OS/c1-4-5-10-8-11(6-7-12(10)16)13(17)15(2,3)9-14/h6-8H,4-5H2,1-3H3/p+1