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

Systemtic Name: 2-[3,5-bis(chloranyl)-4-[(4-chlorophenyl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate hydrochloride Openeye Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-[2-(4-pyridyl)thiazol-4-yl]methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate hydrochloride CAS Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-(2-pyridin-4-yl-4-thiazolyl)methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate hydrochloride IUPAC Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]phenyl]-1,2,4-triazine-3,5-dione hydrate hydrochloride Traditional Name: 2-[3,5-dichloro-4-[(4-chlorophenyl)-[2-(4-pyridyl)thiazol-4-yl]methyl]phenyl]-1,2,4-triazine-3,5-quinone hydrate hydrochloride Formula: C24H17Cl4N5O3S MolecularWeight: 597.30048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CSC(=N2)C3=CC=NC=C3)C4=C(C=C(C=C4Cl)N5C(=O)NC(=O)C=N5)Cl)Cl.O.Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=CSC(=N2)C3=CC=NC=C3)C4=C(C=C(C=C4Cl)N5C(=O)NC(=O)C=N5)Cl)Cl.O.Cl

InChI

InChI=1S/C24H14Cl3N5O2S.ClH.H2O/c25-15-3-1-13(2-4-15)21(19-12-35-23(30-19)14-5-7-28-8-6-14)22-17(26)9-16(10-18(22)27)32-24(34)31-20(33)11-29-32;;/h1-12,21H,(H,31,33,34);1H;1H2