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

Systemtic Name: 1-(3-methylsulfanyl-6-pyridin-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)butan-1-one Openeye Name: 1-[3-methylsulfanyl-6-(2-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one CAS Name: 1-[3-(methylthio)-6-(2-pyridinyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-butanone IUPAC Name: 1-(3-methylsulfanyl-6-pyridin-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)butan-1-one Traditional Name: 1-[3-(methylthio)-6-(2-pyridyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=N4

Isomeric SMILES

CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=N4

InChI

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