1-[2-chloranyl-5-(1,2-diazinan-1-ylsulfanylcarbonylamino)-4-fluoranyl-phenyl]sulfanylcyclopropane-1-carboxylic acid

Systemtic Name: 1-[2-chloranyl-5-(1,2-diazinan-1-ylsulfanylcarbonylamino)-4-fluoranyl-phenyl]sulfanylcyclopropane-1-carboxylic acid Openeye Name: 1-[2-chloro-4-fluoro-5-(hexahydropyridazin-1-ylsulfanylcarbonylamino)phenyl]sulfanylcyclopropanecarboxylic acid CAS Name: 1-[[2-chloro-5-[[(1-diazinanylthio)-oxomethyl]amino]-4-fluorophenyl]thio]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[2-chloro-5-(diazinan-1-ylsulfanylcarbonylamino)-4-fluorophenyl]sulfanylcyclopropane-1-carboxylic acid Traditional Name: 1-[[2-chloro-4-fluoro-5-[(hexahydropyridazin-1-ylthio)carbonylamino]phenyl]thio]cyclopropanecarboxylic acid Formula: C15H17ClFN3O3S2 MolecularWeight: 405.895183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(NC1)SC(=O)NC2=CC(=C(C=C2F)Cl)SC3(CC3)C(=O)O

Isomeric SMILES

C1CCN(NC1)SC(=O)NC2=CC(=C(C=C2F)Cl)SC3(CC3)C(=O)O

InChI

InChI=1S/C15H17ClFN3O3S2/c16-9-7-10(17)11(8-12(9)24-15(3-4-15)13(21)22)19-14(23)25-20-6-2-1-5-18-20/h7-8,18H,1-6H2,(H,19,23)(H,21,22)