3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1-(phenylsulfonyl)pyrrole

Systemtic Name: 3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-[2-(p-tolyl)-1,3-benzodithiol-2-yl]pyrrole CAS Name: 1-(benzenesulfonyl)-3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]pyrrole Traditional Name: 1-besyl-3-[2-(p-tolyl)-1,3-benzodithiol-2-yl]pyrrole Formula: C24H19NO2S3 MolecularWeight: 449.60816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H19NO2S3/c1-18-11-13-19(14-12-18)24(28-22-9-5-6-10-23(22)29-24)20-15-16-25(17-20)30(26,27)21-7-3-2-4-8-21/h2-17H,1H3