6-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate

Systemtic Name: 6-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-15(2,3)10-6-4-9(5-7-10)11(19)8-22-13-12(20)16-14(21)18-17-13/h4-7H,8H2,1-3H3,(H2,16,18,20,21)/p-1