2-tert-butyl-4-chloranyl-5-[[4-(1,2-oxazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(1,2-oxazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(4-isoxazol-5-ylphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(5-isoxazolyl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(1,2-oxazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(4-isoxazol-5-ylbenzyl)thio]pyridazin-3-one Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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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=CC=NO3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CC=NO3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-18(2,3)22-17(23)16(19)15(10-20-22)25-11-12-4-6-13(7-5-12)14-8-9-21-24-14/h4-10H,11H2,1-3H3