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

Systemtic Name: 4-(2-tert-butyl-1,3-benzodithiol-2-yl)-2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Openeye Name: 4-(2-tert-butyl-1,3-benzodithiol-2-yl)-2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole CAS Name: 4-(2-tert-butyl-1,3-benzodithiol-2-yl)-2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole IUPAC Name: 4-(2-tert-butyl-1,3-benzodithiol-2-yl)-2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Traditional Name: 4-(2-tert-butyl-1,3-benzodithiol-2-yl)-2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Formula: C26H29NOS3 MolecularWeight: 467.70956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC(=CN3)C4(SC5=CC=CC=C5S4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC(=CN3)C4(SC5=CC=CC=C5S4)C(C)(C)C

InChI

InChI=1S/C26H29NOS3/c1-23(2,3)25(28-18-11-7-8-12-19(18)29-25)22-15-17(16-27-22)26(24(4,5)6)30-20-13-9-10-14-21(20)31-26/h7-16,27H,1-6H3