[(2S)-1-[(2-cyanophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-cyanophenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-cyanoanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-cyanoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-cyanophenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1C#N)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=CC=C1C#N)[NH3+]

InChI

InChI=1S/C12H15N3OS/c1-17-7-6-10(14)12(16)15-11-5-3-2-4-9(11)8-13/h2-5,10H,6-7,14H2,1H3,(H,15,16)/p+1/t10-/m0/s1