1-[6-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[6-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[6-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[6-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[6-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C24H21ClN6O2S MolecularWeight: 492.98054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(N(N=C4C)C5=CC=CC=C5)Cl

Isomeric SMILES

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(N(N=C4C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C24H21ClN6O2S/c1-4-18(32)30-17-13-9-8-12-16(17)20-22(26-24(34-3)28-27-20)33-23(30)19-14(2)29-31(21(19)25)15-10-6-5-7-11-15/h5-13,23H,4H2,1-3H3