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

Systemtic Name: 2,4-bis[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 2,4-bis[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 2,4-bis[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 2,4-bis[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 2,4-bis[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C32H25NO2S4 MolecularWeight: 583.8064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CC(=CN4)C5(SC6=CC=CC=C6S5)C7=CC=C(C=C7)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CC(=CN4)C5(SC6=CC=CC=C6S5)C7=CC=C(C=C7)OC

InChI

InChI=1S/C32H25NO2S4/c1-34-24-15-11-21(12-16-24)31(36-26-7-3-4-8-27(26)37-31)23-19-30(33-20-23)32(22-13-17-25(35-2)18-14-22)38-28-9-5-6-10-29(28)39-32/h3-20,33H,1-2H3