2-octyl-7-(5-octyl-1,3,4-thiadiazol-2-yl)fluoren-9-one

Systemtic Name: 2-octyl-7-(5-octyl-1,3,4-thiadiazol-2-yl)fluoren-9-one Openeye Name: 2-octyl-7-(5-octyl-1,3,4-thiadiazol-2-yl)fluoren-9-one CAS Name: 2-octyl-7-(5-octyl-1,3,4-thiadiazol-2-yl)-9-fluorenone IUPAC Name: 2-octyl-7-(5-octyl-1,3,4-thiadiazol-2-yl)fluoren-9-one Traditional Name: 2-octyl-7-(5-octyl-1,3,4-thiadiazol-2-yl)fluoren-9-one Formula: C31H40N2OS MolecularWeight: 488.7271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C4=NN=C(S4)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C4=NN=C(S4)CCCCCCCC

InChI

InChI=1S/C31H40N2OS/c1-3-5-7-9-11-13-15-23-17-19-25-26-20-18-24(22-28(26)30(34)27(25)21-23)31-33-32-29(35-31)16-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3