2-[3-chloranyl-4-[(2-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate

Systemtic Name: 2-[3-chloranyl-4-[(2-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate Openeye Name: 2-[3-chloro-4-[(2-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate CAS Name: 2-[3-chloro-4-[(2-chlorophenyl)-hydroxy-(3-methyl-4-imidazolyl)methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate IUPAC Name: 2-[3-chloro-4-[(2-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate Traditional Name: 2-[3-chloro-4-[(2-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]phenyl]-1,2,4-triazine-3,5-quinone hydrate Formula: C20H17Cl2N5O4 MolecularWeight: 462.28608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl)(C4=CC=CC=C4Cl)O.O

Isomeric SMILES

CN1C=NC=C1C(C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl)(C4=CC=CC=C4Cl)O.O

InChI

InChI=1S/C20H15Cl2N5O3.H2O/c1-26-11-23-9-17(26)20(30,13-4-2-3-5-15(13)21)14-7-6-12(8-16(14)22)27-19(29)25-18(28)10-24-27;/h2-11,30H,1H3,(H,25,28,29);1H2