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

Systemtic Name: 3-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-oxo-2-(N-phenylanilino)ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(N-phenylanilino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C18H15N4O2S- MolecularWeight: 351.4023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H16N4O2S/c1-13-17(24)19-18(21-20-13)25-12-16(23)22(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,21,24)/p-1