[3-(3-butylsulfanyl-7-ethanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-chloranyl-phenyl] ethanoate

Systemtic Name: [3-(3-butylsulfanyl-7-ethanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-chloranyl-phenyl] ethanoate Openeye Name: [3-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-chloro-phenyl] acetate CAS Name: acetic acid [3-[7-acetyl-3-(butylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl] ester IUPAC Name: [3-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-4-chlorophenyl] acetate Traditional Name: acetic acid [3-[7-acetyl-3-(butylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chloro-phenyl] ester Formula: C24H23ClN4O4S MolecularWeight: 498.98182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)OC(=O)C)Cl)C(=O)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)OC(=O)C)Cl)C(=O)C)N=N1

InChI

InChI=1S/C24H23ClN4O4S/c1-4-5-12-34-24-26-22-21(27-28-24)17-8-6-7-9-20(17)29(14(2)30)23(33-22)18-13-16(32-15(3)31)10-11-19(18)25/h6-11,13,23H,4-5,12H2,1-3H3