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

Systemtic Name: 2-[4-(1-butoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[4-(1-butoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[4-[(1-butoxy-1-cyclopent-2-enyl)oxy]phenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[4-(1-butoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-[4-(1-butoxycyclopent-2-en-1-yl)oxyphenyl]-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C31H40N2O3S MolecularWeight: 520.7259

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O3S/c1-3-5-7-8-9-12-23-34-27-17-13-25(14-18-27)29-32-33-30(37-29)26-15-19-28(20-16-26)36-31(21-10-11-22-31)35-24-6-4-2/h10,13-21H,3-9,11-12,22-24H2,1-2H3