ethyl 2-chloranyl-5-(1,2-diazinan-1-ylcarbothioylamino)-4-fluoranyl-benzoate

Systemtic Name: ethyl 2-chloranyl-5-(1,2-diazinan-1-ylcarbothioylamino)-4-fluoranyl-benzoate Openeye Name: ethyl 2-chloro-4-fluoro-5-(hexahydropyridazine-1-carbothioylamino)benzoate CAS Name: 2-chloro-5-[[1-diazinanyl(sulfanylidene)methyl]amino]-4-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-(diazinane-1-carbothioylamino)-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-5-(hexahydropyridazine-1-carbothioylamino)benzoic acid ethyl ester Formula: C14H17ClFN3O2S MolecularWeight: 345.820083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1Cl)F)NC(=S)N2CCCCN2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)F)NC(=S)N2CCCCN2

InChI

InChI=1S/C14H17ClFN3O2S/c1-2-21-13(20)9-7-12(11(16)8-10(9)15)18-14(22)19-6-4-3-5-17-19/h7-8,17H,2-6H2,1H3,(H,18,22)