2-[4-(1-octoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-[4-(1-octoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[4-(1-octoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[4-[(1-octoxy-1-cyclopent-2-enyl)oxy]phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[4-(1-octoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-[4-(1-octoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C35H48N2O3S MolecularWeight: 576.83222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OC4(CCC=C4)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OC4(CCC=C4)OCCCCCCCC

InChI

InChI=1S/C35H48N2O3S/c1-3-5-7-9-11-15-27-38-31-21-17-29(18-22-31)33-36-37-34(41-33)30-19-23-32(24-20-30)40-35(25-13-14-26-35)39-28-16-12-10-8-6-4-2/h13,17-25H,3-12,14-16,26-28H2,1-2H3