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

Systemtic Name: 1-[(6S)-3-prop-2-enylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6S)-3-allylsulfanyl-6-(4-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6S)-3-(prop-2-enylthio)-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6S)-3-prop-2-enylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6S)-3-(allylthio)-6-(4-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=NC=C4

Isomeric SMILES

CC(=O)N1[C@@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=NC=C4

InChI

InChI=1S/C20H17N5O2S/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/h3-11,19H,1,12H2,2H3/t19-/m0/s1