3-(2-pentyl-1,3-benzodithiol-2-yl)-1-(phenylsulfonyl)pyrrole

Systemtic Name: 3-(2-pentyl-1,3-benzodithiol-2-yl)-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-(2-pentyl-1,3-benzodithiol-2-yl)pyrrole CAS Name: 1-(benzenesulfonyl)-3-(2-pentyl-1,3-benzodithiol-2-yl)pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-(2-pentyl-1,3-benzodithiol-2-yl)pyrrole Traditional Name: 3-(2-amyl-1,3-benzodithiol-2-yl)-1-besyl-pyrrole Formula: C22H23NO2S3 MolecularWeight: 429.61852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(SC2=CC=CC=C2S1)C3=CN(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1(SC2=CC=CC=C2S1)C3=CN(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO2S3/c1-2-3-9-15-22(26-20-12-7-8-13-21(20)27-22)18-14-16-23(17-18)28(24,25)19-10-5-4-6-11-19/h4-8,10-14,16-17H,2-3,9,15H2,1H3