2-[3,5-bis(chloranyl)-4-[(4-chlorophenyl)-[3-(hydroxymethyl)pyridin-2-yl]sulfanyl-methyl]phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3,5-bis(chloranyl)-4-[(4-chlorophenyl)-[3-(hydroxymethyl)pyridin-2-yl]sulfanyl-methyl]phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-[[3-(hydroxymethyl)-2-pyridyl]sulfanyl]methyl]phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-[[3-(hydroxymethyl)-2-pyridinyl]thio]methyl]phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-[3-(hydroxymethyl)pyridin-2-yl]sulfanylmethyl]phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-[(3-methylol-2-pyridyl)thio]methyl]phenyl]-1,2,4-triazine-3,5-quinone Formula: C22H15Cl3N4O3S MolecularWeight: 521.8035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC(C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3Cl)N4C(=O)NC(=O)C=N4)Cl)CO

Isomeric SMILES

C1=CC(=C(N=C1)SC(C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3Cl)N4C(=O)NC(=O)C=N4)Cl)CO

InChI

InChI=1S/C22H15Cl3N4O3S/c23-14-5-3-12(4-6-14)20(33-21-13(11-30)2-1-7-26-21)19-16(24)8-15(9-17(19)25)29-22(32)28-18(31)10-27-29/h1-10,20,30H,11H2,(H,28,31,32)