2-(1-fluoranylheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole

Systemtic Name: 2-(1-fluoranylheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole Openeye Name: 2-(1-fluoroheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole CAS Name: 2-(1-fluoroheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole IUPAC Name: 2-(1-fluoroheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole Traditional Name: 2-(1-fluoroheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole Formula: C31H41FN2S MolecularWeight: 492.734043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3)C4=NN=C(S4)C(CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3)C4=NN=C(S4)C(CCCCCC)F

InChI

InChI=1S/C31H41FN2S/c1-3-5-7-9-10-11-13-23-15-19-27-24(21-23)16-17-25-22-26(18-20-28(25)27)30-33-34-31(35-30)29(32)14-12-8-6-4-2/h15,18-22,29H,3-14,16-17H2,1-2H3