2-(4-heptoxyphenyl)-5-(2-pentylphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-heptoxyphenyl)-5-(2-pentylphenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-heptoxyphenyl)-5-(2-pentylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-heptoxyphenyl)-5-(2-pentylphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-heptoxyphenyl)-5-(2-pentylphenyl)-1,3,4-thiadiazole Traditional Name: 2-(2-amylphenyl)-5-(4-heptoxyphenyl)-1,3,4-thiadiazole Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3CCCCC

InChI

InChI=1S/C26H34N2OS/c1-3-5-7-8-12-20-29-23-18-16-22(17-19-23)25-27-28-26(30-25)24-15-11-10-14-21(24)13-9-6-4-2/h10-11,14-19H,3-9,12-13,20H2,1-2H3