(4-methylphenyl)-[5-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-3-yl]methanone

Systemtic Name: (4-methylphenyl)-[5-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-3-yl]methanone Openeye Name: p-tolyl-[5-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-3-yl]methanone CAS Name: (4-methylphenyl)-[5-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-3-yl]methanone IUPAC Name: (4-methylphenyl)-[5-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-3-yl]methanone Traditional Name: p-tolyl-[5-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-3-yl]methanone Formula: C26H21NOS2 MolecularWeight: 427.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C3(SC4=CC=CC=C4S3)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C3(SC4=CC=CC=C4S3)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H21NOS2/c1-17-7-11-19(12-8-17)25(28)20-15-24(27-16-20)26(21-13-9-18(2)10-14-21)29-22-5-3-4-6-23(22)30-26/h3-16,27H,1-2H3