6-(2-chloranyl-6-fluoranyl-phenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-(2-chloranyl-6-fluoranyl-phenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-benzylsulfanyl-6-(2-chloro-6-fluoro-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(2-chloro-6-fluorophenyl)-3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-benzylsulfanyl-6-(2-chloro-6-fluorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(benzylthio)-6-(2-chloro-6-fluoro-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C23H16ClFN4OS MolecularWeight: 450.915743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=C(C=CC=C5Cl)F)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=C(C=CC=C5Cl)F)N=N2

InChI

InChI=1S/C23H16ClFN4OS/c24-16-10-6-11-17(25)19(16)21-26-18-12-5-4-9-15(18)20-22(30-21)27-23(29-28-20)31-13-14-7-2-1-3-8-14/h1-12,21,26H,13H2