2-(3-chloranyl-5-methyl-4-thiomorpholin-4-ylsulfonyl-phenyl)-1,2,4-triazine-3,5-dione

Systemtic Name: 2-(3-chloranyl-5-methyl-4-thiomorpholin-4-ylsulfonyl-phenyl)-1,2,4-triazine-3,5-dione Openeye Name: 2-(3-chloro-5-methyl-4-thiomorpholinosulfonyl-phenyl)-1,2,4-triazine-3,5-dione CAS Name: 2-(3-chloro-5-methyl-4-thiomorpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione IUPAC Name: 2-(3-chloro-5-methyl-4-thiomorpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione Traditional Name: 2-(3-chloro-5-methyl-4-thiomorpholinosulfonyl-phenyl)-1,2,4-triazine-3,5-quinone Formula: C14H15ClN4O4S2 MolecularWeight: 402.8763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCSCC2)Cl)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCSCC2)Cl)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C14H15ClN4O4S2/c1-9-6-10(19-14(21)17-12(20)8-16-19)7-11(15)13(9)25(22,23)18-2-4-24-5-3-18/h6-8H,2-5H2,1H3,(H,17,20,21)