[(3S)-5-[[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-5-[[5-[(4-bromanylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-4-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-5-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-3-cyano-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-5-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-3-cyano-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-3-[[5-[(4-bromophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-cyano-2-keto-propyl]vinylammonium Formula: C15H15BrN5O2S+ MolecularWeight: 409.2809

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Br)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Br)[NH3+]

InChI

InChI=1S/C15H14BrN5O2S/c1-9(18)12(6-17)13(22)8-24-15-19-14(20-21-15)7-23-11-4-2-10(16)3-5-11/h2-5,12H,1,7-8,18H2,(H,19,20,21)/p+1/t12-/m1/s1