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

Systemtic Name: 3-methylsulfanyl-6-(3-phenylmethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(3-benzyloxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(methylthio)-6-(3-phenylmethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-methylsulfanyl-6-(3-phenylmethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(3-benzoxyphenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OCC5=CC=CC=C5)N=N1

Isomeric SMILES

CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OCC5=CC=CC=C5)N=N1

InChI

InChI=1S/C24H20N4O2S/c1-31-24-26-23-21(27-28-24)19-12-5-6-13-20(19)25-22(30-23)17-10-7-11-18(14-17)29-15-16-8-3-2-4-9-16/h2-14,22,25H,15H2,1H3