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

Systemtic Name: 1-[(6S)-3-propylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6S)-3-propylsulfanyl-6-(4-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6S)-3-(propylthio)-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6S)-3-propylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6S)-3-(propylthio)-6-(4-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-3-12-28-20-22-18-17(23-24-20)15-6-4-5-7-16(15)25(13(2)26)19(27-18)14-8-10-21-11-9-14/h4-11,19H,3,12H2,1-2H3/t19-/m0/s1