2-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,2,4-triazine-3,5-dione

Systemtic Name: 2-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,2,4-triazine-3,5-dione Openeye Name: 2-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,2,4-triazine-3,5-dione CAS Name: 2-[3,5-dimethyl-4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione Traditional Name: 2-(3,5-dimethyl-4-pyrrolidinosulfonyl-phenyl)-1,2,4-triazine-3,5-quinone Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCC2)C)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCCC2)C)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C15H18N4O4S/c1-10-7-12(19-15(21)17-13(20)9-16-19)8-11(2)14(10)24(22,23)18-5-3-4-6-18/h7-9H,3-6H2,1-2H3,(H,17,20,21)