3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole

Systemtic Name: 3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 3-[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C17H12ClNS2 MolecularWeight: 329.86688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(S2)(C3=CC=C(C=C3)Cl)C4=CNC=C4

Isomeric SMILES

C1=CC=C2C(=C1)SC(S2)(C3=CC=C(C=C3)Cl)C4=CNC=C4

InChI

InChI=1S/C17H12ClNS2/c18-14-7-5-12(6-8-14)17(13-9-10-19-11-13)20-15-3-1-2-4-16(15)21-17/h1-11,19H