[(3R)-3-cyano-4-oxidanylidene-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-4-oxidanylidene-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-1-methylene-3-oxo-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butyl]ammonium CAS Name: [(3R)-3-cyano-4-oxo-5-[(4-phenyl-1,2,4-triazol-3-yl)thio]pent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-4-oxo-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-2-keto-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propyl]vinylammonium Formula: C14H14N5OS+ MolecularWeight: 300.35886

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NN=CN1C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C=C([C@H](C#N)C(=O)CSC1=NN=CN1C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H13N5OS/c1-10(16)12(7-15)13(20)8-21-14-18-17-9-19(14)11-5-3-2-4-6-11/h2-6,9,12H,1,8,16H2/p+1/t12-/m0/s1