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

Systemtic Name: 2,5-bis(1,3-benzodithiol-2-yl)-3,4-bis(bromanyl)-1H-pyrrole Openeye Name: 2,5-bis(1,3-benzodithiol-2-yl)-3,4-dibromo-1H-pyrrole CAS Name: 2,5-bis(1,3-benzodithiol-2-yl)-3,4-dibromo-1H-pyrrole IUPAC Name: 2,5-bis(1,3-benzodithiol-2-yl)-3,4-dibromo-1H-pyrrole Traditional Name: 2,5-bis(1,3-benzodithiol-2-yl)-3,4-dibromo-1H-pyrrole Formula: C18H11Br2NS4 MolecularWeight: 529.35464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(S2)C3=C(C(=C(N3)C4SC5=CC=CC=C5S4)Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)SC(S2)C3=C(C(=C(N3)C4SC5=CC=CC=C5S4)Br)Br

InChI

InChI=1S/C18H11Br2NS4/c19-13-14(20)16(18-24-11-7-3-4-8-12(11)25-18)21-15(13)17-22-9-5-1-2-6-10(9)23-17/h1-8,17-18,21H