2-tert-butyl-4-chloranyl-5-[(4-pyrimidin-2-ylphenyl)methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(4-pyrimidin-2-ylphenyl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(4-pyrimidin-2-ylphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(2-pyrimidinyl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(4-pyrimidin-2-ylphenyl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(2-pyrimidyl)benzyl]thio]pyridazin-3-one Formula: C19H19ClN4OS MolecularWeight: 386.89836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=NC=CC=N3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C19H19ClN4OS/c1-19(2,3)24-18(25)16(20)15(11-23-24)26-12-13-5-7-14(8-6-13)17-21-9-4-10-22-17/h4-11H,12H2,1-3H3