4-[9-bromanyl-2-(diethylaminomethyl)-3-methyl-benzo[f][1]benzothiol-4-yl]-2,6-dimethyl-phenol

Systemtic Name: 4-[9-bromanyl-2-(diethylaminomethyl)-3-methyl-benzo[f][1]benzothiol-4-yl]-2,6-dimethyl-phenol Openeye Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methyl-benzo[f]benzothiophen-4-yl]-2,6-dimethyl-phenol CAS Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methyl-4-benzo[f][1]benzothiolyl]-2,6-dimethylphenol IUPAC Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methylbenzo[f][1]benzothiol-4-yl]-2,6-dimethylphenol Traditional Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methyl-benzo[f]benzothiophen-4-yl]-2,6-dimethyl-phenol Formula: C26H28BrNOS MolecularWeight: 482.47562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(C3=CC=CC=C3C(=C2S1)Br)C4=CC(=C(C(=C4)C)O)C)C

Isomeric SMILES

CCN(CC)CC1=C(C2=C(C3=CC=CC=C3C(=C2S1)Br)C4=CC(=C(C(=C4)C)O)C)C

InChI

InChI=1S/C26H28BrNOS/c1-6-28(7-2)14-21-17(5)22-23(18-12-15(3)25(29)16(4)13-18)19-10-8-9-11-20(19)24(27)26(22)30-21/h8-13,29H,6-7,14H2,1-5H3