3-[4-[5-cyano-6-(trifluoromethyl)pyrazin-2-yl]sulfanylphenyl]-1,1-dimethyl-thiourea

Systemtic Name: 3-[4-[5-cyano-6-(trifluoromethyl)pyrazin-2-yl]sulfanylphenyl]-1,1-dimethyl-thiourea Openeye Name: 3-[4-[5-cyano-6-(trifluoromethyl)pyrazin-2-yl]sulfanylphenyl]-1,1-dimethyl-thiourea CAS Name: 3-[4-[[5-cyano-6-(trifluoromethyl)-2-pyrazinyl]thio]phenyl]-1,1-dimethylthiourea IUPAC Name: 3-[4-[5-cyano-6-(trifluoromethyl)pyrazin-2-yl]sulfanylphenyl]-1,1-dimethylthiourea Traditional Name: 3-[4-[[5-cyano-6-(trifluoromethyl)pyrazin-2-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=CN=C(C(=N2)C(F)(F)F)C#N

Isomeric SMILES

CN(C)C(=S)NC1=CC=C(C=C1)SC2=CN=C(C(=N2)C(F)(F)F)C#N

InChI

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