2,5-bis(1,3-benzodithiol-2-yl)-3-(4-methylphenyl)sulfinyl-1H-pyrrole

Systemtic Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-(4-methylphenyl)sulfinyl-1H-pyrrole Openeye Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-(p-tolylsulfinyl)-1H-pyrrole CAS Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-(4-methylphenyl)sulfinyl-1H-pyrrole IUPAC Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-(4-methylphenyl)sulfinyl-1H-pyrrole Traditional Name: 2,5-bis(1,3-benzodithiol-2-yl)-3-(p-tolylsulfinyl)-1H-pyrrole Formula: C25H19NOS5 MolecularWeight: 509.74946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=C(NC(=C2)C3SC4=CC=CC=C4S3)C5SC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C2=C(NC(=C2)C3SC4=CC=CC=C4S3)C5SC6=CC=CC=C6S5

InChI

InChI=1S/C25H19NOS5/c1-15-10-12-16(13-11-15)32(27)22-14-17(24-28-18-6-2-3-7-19(18)29-24)26-23(22)25-30-20-8-4-5-9-21(20)31-25/h2-14,24-26H,1H3