3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-thiophen-2-yl-pyrrole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-thiophen-2-yl-pyrrole Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-bromophenyl)-2-(2-thienyl)pyrrole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-thiophen-2-ylpyrrole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-bromophenyl)-2-thiophen-2-ylpyrrole Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-bromophenyl)-2-(2-thienyl)pyrrole Formula: C28H20BrNO2S MolecularWeight: 514.4329

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N(C(=C3)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N(C(=C3)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C28H20BrNO2S/c29-22-11-8-20(9-12-22)24-16-23(21-10-13-25-26(15-21)32-18-31-25)28(27-7-4-14-33-27)30(24)17-19-5-2-1-3-6-19/h1-16H,17-18H2