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

Systemtic Name: (4-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrol-2-yl]methanone Formula: C26H21NO3S2 MolecularWeight: 459.57984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C3(SC4=CC=CC=C4S3)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C3(SC4=CC=CC=C4S3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H21NO3S2/c1-29-20-11-7-17(8-12-20)25(28)22-15-19(16-27-22)26(18-9-13-21(30-2)14-10-18)31-23-5-3-4-6-24(23)32-26/h3-16,27H,1-2H3