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

Systemtic Name: 2,4-bis[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 2,4-bis[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 2,4-bis[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 2,4-bis[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 2,4-bis[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C32H25NS4 MolecularWeight: 551.8076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CC(=CN4)C5(SC6=CC=CC=C6S5)C7=CC=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CC(=CN4)C5(SC6=CC=CC=C6S5)C7=CC=C(C=C7)C

InChI

InChI=1S/C32H25NS4/c1-21-11-15-23(16-12-21)31(34-26-7-3-4-8-27(26)35-31)25-19-30(33-20-25)32(24-17-13-22(2)14-18-24)36-28-9-5-6-10-29(28)37-32/h3-20,33H,1-2H3