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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(1-hexoxypropan-2-yloxy)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(2-hexoxy-1-methyl-ethoxy)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(1-hexoxypropan-2-yloxy)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(1-hexoxypropan-2-yloxy)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(2-hexoxy-1-methyl-ethoxy)benzyl]thio]pyridazin-3-one Formula: C24H35ClN2O3S MolecularWeight: 467.0643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35ClN2O3S/c1-6-7-8-9-14-29-16-18(2)30-20-12-10-19(11-13-20)17-31-21-15-26-27(24(3,4)5)23(28)22(21)25/h10-13,15,18H,6-9,14,16-17H2,1-5H3