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

Systemtic Name: 6-(3-phenylmethoxyphenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(3-benzyloxyphenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3-phenylmethoxyphenyl)-3-(propylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3-phenylmethoxyphenyl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(3-benzoxyphenyl)-3-(propylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OCC5=CC=CC=C5)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OCC5=CC=CC=C5)N=N1

InChI

InChI=1S/C26H24N4O2S/c1-2-15-33-26-28-25-23(29-30-26)21-13-6-7-14-22(21)27-24(32-25)19-11-8-12-20(16-19)31-17-18-9-4-3-5-10-18/h3-14,16,24,27H,2,15,17H2,1H3