2-(4-octylphenyl)-5-(3-pentylcyclopentyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-octylphenyl)-5-(3-pentylcyclopentyl)-1,3,4-thiadiazole Openeye Name: 2-(4-octylphenyl)-5-(3-pentylcyclopentyl)-1,3,4-thiadiazole CAS Name: 2-(4-octylphenyl)-5-(3-pentylcyclopentyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-octylphenyl)-5-(3-pentylcyclopentyl)-1,3,4-thiadiazole Traditional Name: 2-(3-amylcyclopentyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Formula: C26H40N2S MolecularWeight: 412.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3CCC(C3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3CCC(C3)CCCCC

InChI

InChI=1S/C26H40N2S/c1-3-5-7-8-9-11-12-21-14-17-23(18-15-21)25-27-28-26(29-25)24-19-16-22(20-24)13-10-6-4-2/h14-15,17-18,22,24H,3-13,16,19-20H2,1-2H3