6-[4-[3-(trifluoromethyl)phenoxy]butylsulfanyl]pyridazine-3-carbothioamide

Systemtic Name: 6-[4-[3-(trifluoromethyl)phenoxy]butylsulfanyl]pyridazine-3-carbothioamide Openeye Name: 6-[4-[3-(trifluoromethyl)phenoxy]butylsulfanyl]pyridazine-3-carbothioamide CAS Name: 6-[4-[3-(trifluoromethyl)phenoxy]butylthio]-3-pyridazinecarbothioamide IUPAC Name: 6-[4-[3-(trifluoromethyl)phenoxy]butylsulfanyl]pyridazine-3-carbothioamide Traditional Name: 6-[4-[3-(trifluoromethyl)phenoxy]butylthio]pyridazine-3-carbothioamide Formula: C16H16F3N3OS2 MolecularWeight: 387.44295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCSC2=NN=C(C=C2)C(=S)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCSC2=NN=C(C=C2)C(=S)N)C(F)(F)F

InChI

InChI=1S/C16H16F3N3OS2/c17-16(18,19)11-4-3-5-12(10-11)23-8-1-2-9-25-14-7-6-13(15(20)24)21-22-14/h3-7,10H,1-2,8-9H2,(H2,20,24)