[(3S)-5-(4-acetamidophenyl)sulfanyl-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-5-(4-acetamidophenyl)sulfanyl-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-4-(4-acetamidophenyl)sulfanyl-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-5-[(4-acetamidophenyl)thio]-3-cyano-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-5-(4-acetamidophenyl)sulfanyl-3-cyano-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-3-[(4-acetamidophenyl)thio]-1-cyano-2-keto-propyl]vinylammonium Formula: C14H16N3O2S+ MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)[C@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C14H15N3O2S/c1-9(16)13(7-15)14(19)8-20-12-5-3-11(4-6-12)17-10(2)18/h3-6,13H,1,8,16H2,2H3,(H,17,18)/p+1/t13-/m1/s1