4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-N-methyl-N-propyl-benzenesulfonamide

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-N-methyl-N-propyl-benzenesulfonamide Openeye Name: 2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)-N-methyl-N-propyl-benzenesulfonamide CAS Name: 2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)-N-methyl-N-propylbenzenesulfonamide IUPAC Name: 2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)-N-methyl-N-propylbenzenesulfonamide Traditional Name: 2-chloro-4-(3,5-diketo-1,2,4-triazin-2-yl)-N-methyl-N-propyl-benzenesulfonamide Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)S(=O)(=O)C1=C(C=C(C=C1)N2C(=O)NC(=O)C=N2)Cl

Isomeric SMILES

CCCN(C)S(=O)(=O)C1=C(C=C(C=C1)N2C(=O)NC(=O)C=N2)Cl

InChI

InChI=1S/C13H15ClN4O4S/c1-3-6-17(2)23(21,22)11-5-4-9(7-10(11)14)18-13(20)16-12(19)8-15-18/h4-5,7-8H,3,6H2,1-2H3,(H,16,19,20)