3-[4-[4-cyano-6-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]-1,1-dimethyl-thiourea

Systemtic Name: 3-[4-[4-cyano-6-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]-1,1-dimethyl-thiourea Openeye Name: 3-[4-[4-cyano-6-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]-1,1-dimethyl-thiourea CAS Name: 3-[4-[[4-cyano-6-(trifluoromethyl)-3-pyridazinyl]thio]phenyl]-1,1-dimethylthiourea IUPAC Name: 3-[4-[4-cyano-6-(trifluoromethyl)pyridazin-3-yl]sulfanylphenyl]-1,1-dimethylthiourea Traditional Name: 3-[4-[[4-cyano-6-(trifluoromethyl)pyridazin-3-yl]thio]phenyl]-1,1-dimethyl-thiourea Formula: C15H12F3N5S2 MolecularWeight: 383.41449

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)NC1=CC=C(C=C1)SC2=NN=C(C=C2C#N)C(F)(F)F

Isomeric SMILES

CN(C)C(=S)NC1=CC=C(C=C1)SC2=NN=C(C=C2C#N)C(F)(F)F

InChI

InChI=1S/C15H12F3N5S2/c1-23(2)14(24)20-10-3-5-11(6-4-10)25-13-9(8-19)7-12(21-22-13)15(16,17)18/h3-7H,1-2H3,(H,20,24)