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

Systemtic Name: 1-[(6R)-3-methylsulfanyl-6-(4-nitrophenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[(6R)-3-methylsulfanyl-6-(4-nitrophenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[(6R)-3-(methylthio)-6-(4-nitrophenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[(6R)-3-methylsulfanyl-6-(4-nitrophenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[(6R)-3-(methylthio)-6-(4-nitrophenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C19H15N5O4S MolecularWeight: 409.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O4S/c1-11(25)23-15-6-4-3-5-14(15)16-17(20-19(29-2)22-21-16)28-18(23)12-7-9-13(10-8-12)24(26)27/h3-10,18H,1-2H3/t18-/m1/s1