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

Systemtic Name: 3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]pyrrole CAS Name: 1-(benzenesulfonyl)-3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]pyrrole Traditional Name: 1-besyl-3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]pyrrole Formula: C23H16ClNO2S3 MolecularWeight: 470.02664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C3(SC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C3(SC4=CC=CC=C4S3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H16ClNO2S3/c24-19-12-10-17(11-13-19)23(28-21-8-4-5-9-22(21)29-23)18-14-15-25(16-18)30(26,27)20-6-2-1-3-7-20/h1-16H