1-(1,3-benzodioxol-5-ylmethyl)-2,3-bis(phenylsulfanyl)indole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,3-bis(phenylsulfanyl)indole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,3-bis(phenylsulfanyl)indole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,3-bis(phenylthio)indole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2,3-bis(phenylsulfanyl)indole Traditional Name: 2,3-bis(phenylthio)-1-piperonyl-indole Formula: C28H21NO2S2 MolecularWeight: 467.60184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C3SC5=CC=CC=C5)SC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C3SC5=CC=CC=C5)SC6=CC=CC=C6

InChI

InChI=1S/C28H21NO2S2/c1-3-9-21(10-4-1)32-27-23-13-7-8-14-24(23)29(28(27)33-22-11-5-2-6-12-22)18-20-15-16-25-26(17-20)31-19-30-25/h1-17H,18-19H2