[2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-phenyl-methanone

Systemtic Name: [2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-phenyl-methanone Openeye Name: [2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-phenyl-methanone CAS Name: [2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-phenylmethanone IUPAC Name: [2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-phenylmethanone Traditional Name: [2,5-bis(1,3-benzodithiol-2-yl)-1H-pyrrol-3-yl]-phenyl-methanone Formula: C25H17NOS4 MolecularWeight: 475.66858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17NOS4/c27-23(15-8-2-1-3-9-15)16-14-17(24-28-18-10-4-5-11-19(18)29-24)26-22(16)25-30-20-12-6-7-13-21(20)31-25/h1-14,24-26H