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

Systemtic Name: [(3S)-5-(4-bromophenyl)sulfanyl-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-4-(4-bromophenyl)sulfanyl-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-5-[(4-bromophenyl)thio]-3-cyano-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-5-(4-bromophenyl)sulfanyl-3-cyano-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-3-[(4-bromophenyl)thio]-1-cyano-2-keto-propyl]vinylammonium Formula: C12H12BrN2OS+ MolecularWeight: 312.20548

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=CC=C(C=C1)Br)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=CC=C(C=C1)Br)[NH3+]

InChI

InChI=1S/C12H11BrN2OS/c1-8(15)11(6-14)12(16)7-17-10-4-2-9(13)3-5-10/h2-5,11H,1,7,15H2/p+1/t11-/m1/s1