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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methylthio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(1,3-benzodioxol-5-yl)-3-[(2-fluorobenzyl)thio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C24H17FN4O3S MolecularWeight: 460.480183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6F

InChI

InChI=1S/C24H17FN4O3S/c25-17-7-3-1-5-15(17)12-33-24-27-23-21(28-29-24)16-6-2-4-8-18(16)26-22(32-23)14-9-10-19-20(11-14)31-13-30-19/h1-11,22,26H,12-13H2