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

Systemtic Name: 3-[4-[4-cyano-6-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-1,1-dimethyl-thiourea Openeye Name: 3-[4-[[4-cyano-6-(trifluoromethyl)-2-pyridyl]sulfanyl]phenyl]-1,1-dimethyl-thiourea CAS Name: 3-[4-[[4-cyano-6-(trifluoromethyl)-2-pyridinyl]thio]phenyl]-1,1-dimethylthiourea IUPAC Name: 3-[4-[4-cyano-6-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-1,1-dimethylthiourea Traditional Name: 3-[4-[[4-cyano-6-(trifluoromethyl)-2-pyridyl]thio]phenyl]-1,1-dimethyl-thiourea Formula: C16H13F3N4S2 MolecularWeight: 382.42643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N4S2/c1-23(2)15(24)21-11-3-5-12(6-4-11)25-14-8-10(9-20)7-13(22-14)16(17,18)19/h3-8H,1-2H3,(H,21,24)