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

Systemtic Name: 4-[9-bromanyl-2-(diethylaminomethyl)-3-methyl-benzo[f][1]benzothiol-4-yl]phenol Openeye Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methyl-benzo[f]benzothiophen-4-yl]phenol CAS Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methyl-4-benzo[f][1]benzothiolyl]phenol IUPAC Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methylbenzo[f][1]benzothiol-4-yl]phenol Traditional Name: 4-[9-bromo-2-(diethylaminomethyl)-3-methyl-benzo[f]benzothiophen-4-yl]phenol Formula: C24H24BrNOS MolecularWeight: 454.42246

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrNOS/c1-4-26(5-2)14-20-15(3)21-22(16-10-12-17(27)13-11-16)18-8-6-7-9-19(18)23(25)24(21)28-20/h6-13,27H,4-5,14H2,1-3H3