1-[4,4-bis(fluoranyl)but-3-enyl]thiourea; 4-methylbenzenesulfonate

Systemtic Name: 1-[4,4-bis(fluoranyl)but-3-enyl]thiourea; 4-methylbenzenesulfonate Openeye Name: 4,4-difluorobut-3-enylthiourea; 4-methylbenzenesulfonate CAS Name: 4,4-difluorobut-3-enylthiourea; 4-methylbenzenesulfonate IUPAC Name: 4,4-difluorobut-3-enylthiourea; 4-methylbenzenesulfonate Traditional Name: 4,4-difluorobut-3-enylthiourea tosylate Formula: C12H15F2N2O3S2- MolecularWeight: 337.385906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CNC(=S)N)C=C(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(CNC(=S)N)C=C(F)F

InChI

InChI=1S/C7H8O3S.C5H8F2N2S/c1-6-2-4-7(5-3-6)11(8,9)10;6-4(7)2-1-3-9-5(8)10/h2-5H,1H3,(H,8,9,10);2H,1,3H2,(H3,8,9,10)/p-1