3-(2-tert-butyl-1,3-benzodithiol-2-yl)-1-(phenylsulfonyl)pyrrole

Systemtic Name: 3-(2-tert-butyl-1,3-benzodithiol-2-yl)-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-(2-tert-butyl-1,3-benzodithiol-2-yl)pyrrole CAS Name: 1-(benzenesulfonyl)-3-(2-tert-butyl-1,3-benzodithiol-2-yl)pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-(2-tert-butyl-1,3-benzodithiol-2-yl)pyrrole Traditional Name: 1-besyl-3-(2-tert-butyl-1,3-benzodithiol-2-yl)pyrrole Formula: C21H21NO2S3 MolecularWeight: 415.59194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(SC2=CC=CC=C2S1)C3=CN(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1(SC2=CC=CC=C2S1)C3=CN(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO2S3/c1-20(2,3)21(25-18-11-7-8-12-19(18)26-21)16-13-14-22(15-16)27(23,24)17-9-5-4-6-10-17/h4-15H,1-3H3