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

Systemtic Name: 1-[2-chloranyl-5-(1,2-diazinan-1-ylsulfanylcarbonylamino)-4-fluoranyl-phenyl]sulfanylcyclobutane-1-carboxylic acid Openeye Name: 1-[2-chloro-4-fluoro-5-(hexahydropyridazin-1-ylsulfanylcarbonylamino)phenyl]sulfanylcyclobutanecarboxylic acid CAS Name: 1-[[2-chloro-5-[[(1-diazinanylthio)-oxomethyl]amino]-4-fluorophenyl]thio]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[2-chloro-5-(diazinan-1-ylsulfanylcarbonylamino)-4-fluorophenyl]sulfanylcyclobutane-1-carboxylic acid Traditional Name: 1-[[2-chloro-4-fluoro-5-[(hexahydropyridazin-1-ylthio)carbonylamino]phenyl]thio]cyclobutanecarboxylic acid Formula: C16H19ClFN3O3S2 MolecularWeight: 419.921763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(NC1)SC(=O)NC2=CC(=C(C=C2F)Cl)SC3(CCC3)C(=O)O

Isomeric SMILES

C1CCN(NC1)SC(=O)NC2=CC(=C(C=C2F)Cl)SC3(CCC3)C(=O)O

InChI

InChI=1S/C16H19ClFN3O3S2/c17-10-8-11(18)12(20-15(24)26-21-7-2-1-6-19-21)9-13(10)25-16(14(22)23)4-3-5-16/h8-9,19H,1-7H2,(H,20,24)(H,22,23)