3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one CAS Name: 3-[(3,3-dimethyl-2-oxobutyl)thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Traditional Name: 3-[(2-keto-3,3-dimethyl-butyl)thio]-6-phenyl-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC2=NC(=O)C(=NN21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC2=NC(=O)C(=NN21)C3=CC=CC=C3

InChI

InChI=1S/C16H17N5O2S/c1-16(2,3)11(22)9-24-15-19-18-14-17-13(23)12(20-21(14)15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,18,23)