3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane]

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] CAS Name: 3-[(2-fluorophenyl)methylthio]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] Traditional Name: 3-[(2-fluorobenzyl)thio]spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5F

Isomeric SMILES

C1CCC2(CC1)NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5F

InChI

InChI=1S/C22H21FN4OS/c23-17-10-4-2-8-15(17)14-29-21-24-20-19(26-27-21)16-9-3-5-11-18(16)25-22(28-20)12-6-1-7-13-22/h2-5,8-11,25H,1,6-7,12-14H2