4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 4-azanyl-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2-(2-chloranyl-4-methylsulfonyl-phenyl)carbonylcyclohexane-1,3-dione Openeye Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2-(2-chloro-4-methylsulfonyl-benzoyl)cyclohexane-1,3-dione CAS Name: 4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one; 2-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one; 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione Traditional Name: 4-amino-6-tert-butyl-3-(methylthio)-1,2,4-triazin-5-one; 2-(2-chloro-4-mesyl-benzoyl)cyclohexane-1,3-quinone Formula: C22H27ClN4O6S2 MolecularWeight: 543.05598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N(C1=O)N)SC.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl

Isomeric SMILES

CC(C)(C)C1=NN=C(N(C1=O)N)SC.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl

InChI

InChI=1S/C14H13ClO5S.C8H14N4OS/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17;1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h5-7,13H,2-4H2,1H3;9H2,1-4H3