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

Systemtic Name: 2-(2-cyclohexyl-1,3-benzoxathiol-2-yl)-4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 2-(2-cyclohexyl-1,3-benzoxathiol-2-yl)-4-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 2-(2-cyclohexyl-1,3-benzoxathiol-2-yl)-4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 2-(2-cyclohexyl-1,3-benzoxathiol-2-yl)-4-[2-(4-methylphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 2-(2-cyclohexyl-1,3-benzoxathiol-2-yl)-4-[2-(p-tolyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C31H29NOS3 MolecularWeight: 527.76306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC(=C4)C5(OC6=CC=CC=C6S5)C7CCCCC7

Isomeric SMILES

CC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC(=C4)C5(OC6=CC=CC=C6S5)C7CCCCC7

InChI

InChI=1S/C31H29NOS3/c1-21-15-17-23(18-16-21)31(35-27-13-7-8-14-28(27)36-31)24-19-29(32-20-24)30(22-9-3-2-4-10-22)33-25-11-5-6-12-26(25)34-30/h5-8,11-20,22,32H,2-4,9-10H2,1H3