[[1-azanyl-2-(1-methylimidazol-2-yl)sulfanyl-ethylidene]amino] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [[1-azanyl-2-(1-methylimidazol-2-yl)sulfanyl-ethylidene]amino] 2,6-bis(fluoranyl)benzoate Openeye Name: [[1-amino-2-(1-methylimidazol-2-yl)sulfanyl-ethylidene]amino] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [[1-amino-2-[(1-methyl-2-imidazolyl)thio]ethylidene]amino] ester IUPAC Name: [[1-amino-2-(1-methylimidazol-2-yl)sulfanylethylidene]amino] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [[1-amino-2-[(1-methylimidazol-2-yl)thio]ethylidene]amino] ester Formula: C13H12F2N4O2S MolecularWeight: 326.321786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=NOC(=O)C2=C(C=CC=C2F)F)N

Isomeric SMILES

CN1C=CN=C1SCC(=NOC(=O)C2=C(C=CC=C2F)F)N

InChI

InChI=1S/C13H12F2N4O2S/c1-19-6-5-17-13(19)22-7-10(16)18-21-12(20)11-8(14)3-2-4-9(11)15/h2-6H,7H2,1H3,(H2,16,18)