2-[3-chloranyl-4-[(4-chlorophenyl)-pyridin-2-ylsulfanyl-methyl]phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3-chloranyl-4-[(4-chlorophenyl)-pyridin-2-ylsulfanyl-methyl]phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3-chloro-4-[(4-chlorophenyl)-(2-pyridylsulfanyl)methyl]phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3-chloro-4-[(4-chlorophenyl)-(2-pyridinylthio)methyl]phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3-chloro-4-[(4-chlorophenyl)-pyridin-2-ylsulfanylmethyl]phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3-chloro-4-[(4-chlorophenyl)-(2-pyridylthio)methyl]phenyl]-1,2,4-triazine-3,5-quinone Formula: C21H14Cl2N4O2S MolecularWeight: 457.33246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC(C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)N4C(=O)NC(=O)C=N4)Cl

Isomeric SMILES

C1=CC=NC(=C1)SC(C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)N4C(=O)NC(=O)C=N4)Cl

InChI

InChI=1S/C21H14Cl2N4O2S/c22-14-6-4-13(5-7-14)20(30-19-3-1-2-10-24-19)16-9-8-15(11-17(16)23)27-21(29)26-18(28)12-25-27/h1-12,20H,(H,26,28,29)