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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(1,3-oxazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(4-oxazol-5-ylphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(5-oxazolyl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(1,3-oxazol-5-yl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(4-oxazol-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=CN=CO3)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C3=CN=CO3)Cl

InChI

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