3-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-1,2,4-triazin-5-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=CN=N2)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=CN=N2)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-9(10-5-3-2-4-6-10)15-12(19)8-20-13-16-11(18)7-14-17-13/h2-7,9H,8H2,1H3,(H,15,19)(H,16,17,18)/p-1/t9-/m0/s1