1-[(6S)-6-(2,5-dimethylphenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone

Systemtic Name: 1-[(6S)-6-(2,5-dimethylphenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6S)-6-(2,5-dimethylphenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6S)-6-(2,5-dimethylphenyl)-3-(propylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6S)-6-(2,5-dimethylphenyl)-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6S)-6-(2,5-dimethylphenyl)-3-(propylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCSC1=NC2=C(C3=CC=CC=C3N([C@@H](O2)C4=C(C=CC(=C4)C)C)C(=O)C)N=N1

InChI

InChI=1S/C23H24N4O2S/c1-5-12-30-23-24-21-20(25-26-23)17-8-6-7-9-19(17)27(16(4)28)22(29-21)18-13-14(2)10-11-15(18)3/h6-11,13,22H,5,12H2,1-4H3/t22-/m0/s1