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

Systemtic Name: 3-(2-methyl-1,3-benzodithiol-2-yl)-1-(phenylsulfonyl)pyrrole Openeye Name: 1-(benzenesulfonyl)-3-(2-methyl-1,3-benzodithiol-2-yl)pyrrole CAS Name: 1-(benzenesulfonyl)-3-(2-methyl-1,3-benzodithiol-2-yl)pyrrole IUPAC Name: 1-(benzenesulfonyl)-3-(2-methyl-1,3-benzodithiol-2-yl)pyrrole Traditional Name: 1-besyl-3-(2-methyl-1,3-benzodithiol-2-yl)pyrrole Formula: C18H15NO2S3 MolecularWeight: 373.5122

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Descriptors Computed from Structure

Canonical SMILES:

CC1(SC2=CC=CC=C2S1)C3=CN(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1(SC2=CC=CC=C2S1)C3=CN(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H15NO2S3/c1-18(22-16-9-5-6-10-17(16)23-18)14-11-12-19(13-14)24(20,21)15-7-3-2-4-8-15/h2-13H,1H3