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

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-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]-6-methyl-1,2,4-triazin-5-olate Formula: C14H15N4O2S- MolecularWeight: 303.3595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC(C)C2=CC=CC=C2)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)N[C@@H](C)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-9(11-6-4-3-5-7-11)15-12(19)8-21-14-16-13(20)10(2)17-18-14/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,18,20)/p-1/t9-/m0/s1