3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C15H17N4O2S- MolecularWeight: 317.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-3-10(2)16-12(20)9-22-15-17-14(21)13(18-19-15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,20)(H,17,19,21)/p-1/t10-/m0/s1