methyl (NE)-N'-azanyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]carbamimidothioate

Systemtic Name: methyl (NE)-N'-azanyl-N-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]carbamimidothioate Openeye Name: (1E)-3-amino-1-[(2-chloro-6-fluoro-phenyl)methylene]-2-methyl-isothiourea CAS Name: (NE)-N'-amino-N-[(2-chloro-6-fluorophenyl)methylidene]carbamimidothioic acid methyl ester IUPAC Name: methyl (NE)-N'-amino-N-[(2-chloro-6-fluorophenyl)methylidene]carbamimidothioate Traditional Name: (1E)-3-amino-1-(2-chloro-6-fluoro-benzylidene)-2-methyl-isothiourea Formula: C9H9ClFN3S MolecularWeight: 245.704263

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN)N=CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CS/C(=N\N)/N=C/C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C9H9ClFN3S/c1-15-9(14-12)13-5-6-7(10)3-2-4-8(6)11/h2-5H,12H2,1H3/b13-5+,14-9-