3-(4-heptylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole

Systemtic Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole Openeye Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole CAS Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole IUPAC Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole Traditional Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-2H-1,3,4-thiadiazole Formula: C29H42N2OS MolecularWeight: 466.72158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN(CS2)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN(CS2)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C29H42N2OS/c1-3-5-7-9-11-13-23-32-28-21-17-26(18-22-28)29-30-31(24-33-29)27-19-15-25(16-20-27)14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3