(6R)-3-[(2-fluorophenyl)methylsulfanyl]-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: (6R)-3-[(2-fluorophenyl)methylsulfanyl]-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6R)-3-[(2-fluorophenyl)methylsulfanyl]-6-(6-methyl-2-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6R)-3-[(2-fluorophenyl)methylthio]-6-(6-methyl-2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6R)-3-[(2-fluorophenyl)methylsulfanyl]-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6R)-3-[(2-fluorobenzyl)thio]-6-(6-methyl-2-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C23H18FN5OS MolecularWeight: 431.485323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5F

Isomeric SMILES

CC1=CC=CC(=N1)[C@@H]2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5F

InChI

InChI=1S/C23H18FN5OS/c1-14-7-6-12-19(25-14)21-26-18-11-5-3-9-16(18)20-22(30-21)27-23(29-28-20)31-13-15-8-2-4-10-17(15)24/h2-12,21,26H,13H2,1H3/t21-/m1/s1