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

Systemtic Name: 3-(2-cyclohexyl-1,3-benzodithiol-2-yl)-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-(2-cyclohexyl-1,3-benzodithiol-2-yl)pyrrole CAS Name: 1-(benzenesulfonyl)-3-(2-cyclohexyl-1,3-benzodithiol-2-yl)pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-(2-cyclohexyl-1,3-benzodithiol-2-yl)pyrrole Traditional Name: 1-besyl-3-(2-cyclohexyl-1,3-benzodithiol-2-yl)pyrrole Formula: C23H23NO2S3 MolecularWeight: 441.62922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(SC3=CC=CC=C3S2)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2(SC3=CC=CC=C3S2)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H23NO2S3/c25-29(26,20-11-5-2-6-12-20)24-16-15-19(17-24)23(18-9-3-1-4-10-18)27-21-13-7-8-14-22(21)28-23/h2,5-8,11-18H,1,3-4,9-10H2