3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylsulfanyl)phenyl]-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylthio)phenyl]-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylsulfanyl)phenyl]-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylthio)phenyl]-1-methyl-thiourea Formula: C12H13F2N3S2 MolecularWeight: 301.378526

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC=C(C=C1)SC(F)F

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC=C(C=C1)SC(F)F

InChI

InChI=1S/C12H13F2N3S2/c1-17(8-2-7-15)12(18)16-9-3-5-10(6-4-9)19-11(13)14/h3-6,11H,2,8H2,1H3,(H,16,18)