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

Systemtic Name: 3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 3-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 3-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 3-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C18H15NS2 MolecularWeight: 309.4484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC=C4

InChI

InChI=1S/C18H15NS2/c1-13-6-8-14(9-7-13)18(15-10-11-19-12-15)20-16-4-2-3-5-17(16)21-18/h2-12,19H,1H3