4-(2-pentyl-1,3-benzodithiol-2-yl)-2-(2-pentyl-1,3-benzoxathiol-2-yl)-1H-pyrrole

Systemtic Name: 4-(2-pentyl-1,3-benzodithiol-2-yl)-2-(2-pentyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Openeye Name: 4-(2-pentyl-1,3-benzodithiol-2-yl)-2-(2-pentyl-1,3-benzoxathiol-2-yl)-1H-pyrrole CAS Name: 4-(2-pentyl-1,3-benzodithiol-2-yl)-2-(2-pentyl-1,3-benzoxathiol-2-yl)-1H-pyrrole IUPAC Name: 4-(2-pentyl-1,3-benzodithiol-2-yl)-2-(2-pentyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Traditional Name: 4-(2-amyl-1,3-benzodithiol-2-yl)-2-(2-amyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Formula: C28H33NOS3 MolecularWeight: 495.76272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OC2=CC=CC=C2S1)C3=CC(=CN3)C4(SC5=CC=CC=C5S4)CCCCC

Isomeric SMILES

CCCCCC1(OC2=CC=CC=C2S1)C3=CC(=CN3)C4(SC5=CC=CC=C5S4)CCCCC

InChI

InChI=1S/C28H33NOS3/c1-3-5-11-17-27(30-22-13-7-8-14-23(22)31-27)26-19-21(20-29-26)28(18-12-6-4-2)32-24-15-9-10-16-25(24)33-28/h7-10,13-16,19-20,29H,3-6,11-12,17-18H2,1-2H3