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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[(3-hexylphenyl)methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[(3-hexylphenyl)methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[(3-hexylphenyl)methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[(3-hexylphenyl)methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[(3-hexylbenzyl)thio]pyridazin-3-one Formula: C21H29ClN2OS MolecularWeight: 392.98576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C21H29ClN2OS/c1-5-6-7-8-10-16-11-9-12-17(13-16)15-26-18-14-23-24(21(2,3)4)20(25)19(18)22/h9,11-14H,5-8,10,15H2,1-4H3