1-[3-butylsulfanyl-6-[5-(3-chlorophenyl)furan-2-yl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone

Systemtic Name: 1-[3-butylsulfanyl-6-[5-(3-chlorophenyl)furan-2-yl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Openeye Name: 1-[3-butylsulfanyl-6-[5-(3-chlorophenyl)-2-furyl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone CAS Name: 1-[3-(butylthio)-6-[5-(3-chlorophenyl)-2-furanyl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone IUPAC Name: 1-[3-butylsulfanyl-6-[5-(3-chlorophenyl)furan-2-yl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Traditional Name: 1-[3-(butylthio)-6-[5-(3-chlorophenyl)-2-furyl]-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC(=CC=C5)Cl)C(=O)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC(=CC=C5)Cl)C(=O)C)N=N1

InChI

InChI=1S/C26H23ClN4O3S/c1-3-4-14-35-26-28-24-23(29-30-26)19-10-5-6-11-20(19)31(16(2)32)25(34-24)22-13-12-21(33-22)17-8-7-9-18(27)15-17/h5-13,15,25H,3-4,14H2,1-2H3