2-chloranyl-5-(1,2-diazinan-1-ylsulfanylcarbonylamino)-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(1,2-diazinan-1-ylsulfanylcarbonylamino)-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-(hexahydropyridazin-1-ylsulfanylcarbonylamino)benzoic acid CAS Name: 2-chloro-5-[[(1-diazinanylthio)-oxomethyl]amino]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-(diazinan-1-ylsulfanylcarbonylamino)-4-fluorobenzoic acid Traditional Name: 2-chloro-4-fluoro-5-[(hexahydropyridazin-1-ylthio)carbonylamino]benzoic acid Formula: C12H13ClFN3O3S MolecularWeight: 333.766323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(NC1)SC(=O)NC2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

C1CCN(NC1)SC(=O)NC2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C12H13ClFN3O3S/c13-8-6-9(14)10(5-7(8)11(18)19)16-12(20)21-17-4-2-1-3-15-17/h5-6,15H,1-4H2,(H,16,20)(H,18,19)