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

Systemtic Name: phenyl-[5-(2-phenyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]methanone Openeye Name: phenyl-[5-(2-phenyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]methanone CAS Name: phenyl-[5-(2-phenyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]methanone IUPAC Name: phenyl-[5-(2-phenyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]methanone Traditional Name: phenyl-[5-(2-phenyl-1,3-benzodithiol-2-yl)-1H-pyrrol-2-yl]methanone Formula: C24H17NOS2 MolecularWeight: 399.52788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(N2)C3(SC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(N2)C3(SC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C24H17NOS2/c26-23(17-9-3-1-4-10-17)19-15-16-22(25-19)24(18-11-5-2-6-12-18)27-20-13-7-8-14-21(20)28-24/h1-16,25H