1-[6-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[6-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[6-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[6-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(propylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[6-(3,5-ditert-butyl-4-hydroxyphenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[6-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-(propylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(=O)CC)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(=O)CC)N=N1

InChI

InChI=1S/C30H38N4O3S/c1-9-15-38-28-31-26-24(32-33-28)19-13-11-12-14-22(19)34(23(35)10-2)27(37-26)18-16-20(29(3,4)5)25(36)21(17-18)30(6,7)8/h11-14,16-17,27,36H,9-10,15H2,1-8H3