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

Systemtic Name: 3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]-1,2,4-triazin-5-olate Formula: C9H13N4O2S- MolecularWeight: 241.29012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CN=N1)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=CN=N1)[O-]

InChI

InChI=1S/C9H14N4O2S/c1-3-6(2)11-8(15)5-16-9-12-7(14)4-10-13-9/h4,6H,3,5H2,1-2H3,(H,11,15)(H,12,13,14)/p-1/t6-/m0/s1