3-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,2,4-triazine-5,6-dione

Systemtic Name: 3-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,2,4-triazine-5,6-dione Openeye Name: 3-ethyl-4-isobutyl-1-(p-tolylsulfonyl)-1,2,4-triazine-5,6-dione CAS Name: 3-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,2,4-triazine-5,6-dione IUPAC Name: 3-ethyl-1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)-1,2,4-triazine-5,6-dione Traditional Name: 3-ethyl-4-isobutyl-1-tosyl-1,2,4-triazine-5,6-quinone Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C(=O)N1CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=NN(C(=O)C(=O)N1CC(C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3O4S/c1-5-14-17-19(16(21)15(20)18(14)10-11(2)3)24(22,23)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3