2-tert-butyl-4-chloranyl-5-[[4-(1-methoxypropan-2-yloxy)phenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(1-methoxypropan-2-yloxy)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(2-methoxy-1-methyl-ethoxy)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(1-methoxypropan-2-yloxy)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(1-methoxypropan-2-yloxy)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(2-methoxy-1-methyl-ethoxy)benzyl]thio]pyridazin-3-one Formula: C19H25ClN2O3S MolecularWeight: 396.9314

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CC(COC)OC1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C19H25ClN2O3S/c1-13(11-24-5)25-15-8-6-14(7-9-15)12-26-16-10-21-22(19(2,3)4)18(23)17(16)20/h6-10,13H,11-12H2,1-5H3