[6-(2-hexoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone

Systemtic Name: [6-(2-hexoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone Openeye Name: [6-(2-hexoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone CAS Name: [6-(2-hexoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenylmethanone IUPAC Name: [6-(2-hexoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenylmethanone Traditional Name: [6-(2-hexoxyphenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H30N4O3S/c1-3-4-5-13-20-36-25-19-12-10-17-23(25)29-34(28(35)21-14-7-6-8-15-21)24-18-11-9-16-22(24)26-27(37-29)31-30(38-2)33-32-26/h6-12,14-19,29H,3-5,13,20H2,1-2H3