1-[(6R)-6-(1-methylpyrrol-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone

Systemtic Name: 1-[(6R)-6-(1-methylpyrrol-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-6-(1-methylpyrrol-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-6-(1-methyl-2-pyrrolyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-6-(1-methylpyrrol-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-6-(1-methylpyrrol-2-yl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CN4C

Isomeric SMILES

CC(=O)N1[C@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CN4C

InChI

InChI=1S/C18H17N5O2S/c1-11(24)23-13-8-5-4-7-12(13)15-16(19-18(26-3)21-20-15)25-17(23)14-9-6-10-22(14)2/h4-10,17H,1-3H3/t17-/m1/s1