5-bromanyl-2-(4-methoxyphenyl)-1-(phenylmethyl)-3-phenylsulfanyl-indole

Systemtic Name: 5-bromanyl-2-(4-methoxyphenyl)-1-(phenylmethyl)-3-phenylsulfanyl-indole Openeye Name: 1-benzyl-5-bromo-2-(4-methoxyphenyl)-3-phenylsulfanyl-indole CAS Name: 5-bromo-2-(4-methoxyphenyl)-1-(phenylmethyl)-3-(phenylthio)indole IUPAC Name: 1-benzyl-5-bromo-2-(4-methoxyphenyl)-3-phenylsulfanylindole Traditional Name: 1-benzyl-5-bromo-2-(4-methoxyphenyl)-3-(phenylthio)indole Formula: C28H22BrNOS MolecularWeight: 500.44938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)Br)SC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)Br)SC5=CC=CC=C5

InChI

InChI=1S/C28H22BrNOS/c1-31-23-15-12-21(13-16-23)27-28(32-24-10-6-3-7-11-24)25-18-22(29)14-17-26(25)30(27)19-20-8-4-2-5-9-20/h2-18H,19H2,1H3