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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(1,3-benzodioxol-5-yl)-3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(1,3-benzodioxol-5-yl)-3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(1,3-benzodioxol-5-yl)-3-(benzylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C24H18N4O3S MolecularWeight: 442.48972

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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=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6

InChI

InChI=1S/C24H18N4O3S/c1-2-6-15(7-3-1)13-32-24-26-23-21(27-28-24)17-8-4-5-9-18(17)25-22(31-23)16-10-11-19-20(12-16)30-14-29-19/h1-12,22,25H,13-14H2