[(3R)-3-cyano-5-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-4-(o-tolylmethylsulfanyl)-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[(2-methylphenyl)methylthio]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-[(2-methylphenyl)methylsulfanyl]-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-[(2-methylbenzyl)thio]propyl]vinylammonium Formula: C14H17N2OS+ MolecularWeight: 261.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)[C@@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C14H16N2OS/c1-10-5-3-4-6-12(10)8-18-9-14(17)13(7-15)11(2)16/h3-6,13H,2,8-9,16H2,1H3/p+1/t13-/m0/s1