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

Systemtic Name: 3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]pyrrole CAS Name: 1-(benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]pyrrole Traditional Name: 1-besyl-3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]pyrrole Formula: C24H19NO3S3 MolecularWeight: 465.60756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CN(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H19NO3S3/c1-28-20-13-11-18(12-14-20)24(29-22-9-5-6-10-23(22)30-24)19-15-16-25(17-19)31(26,27)21-7-3-2-4-8-21/h2-17H,1H3