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

Systemtic Name: 1-(3-methylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone Openeye Name: 1-[3-methylsulfanyl-6-(4-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[3-(methylthio)-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-(3-methylsulfanyl-6-pyridin-4-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone Traditional Name: 1-[3-(methylthio)-6-(4-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C18H15N5O2S MolecularWeight: 365.409

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O2S/c1-11(24)23-14-6-4-3-5-13(14)15-16(20-18(26-2)22-21-15)25-17(23)12-7-9-19-10-8-12/h3-10,17H,1-2H3