(2-chloranyl-6-fluoranyl-phenyl)methyl N-cyano-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl N-cyano-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-2-[(2-chloro-6-fluoro-phenyl)methyl]-1-cyano-isothiourea CAS Name: N-cyano-N'-prop-2-enylcarbamimidothioic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(2-chloro-6-fluoro-benzyl)-1-cyano-isothiourea Formula: C12H11ClFN3S MolecularWeight: 283.752243

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NC#N)SCC1=C(C=CC=C1Cl)F

Isomeric SMILES

C=CCN=C(NC#N)SCC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H11ClFN3S/c1-2-6-16-12(17-8-15)18-7-9-10(13)4-3-5-11(9)14/h2-5H,1,6-7H2,(H,16,17)