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

Systemtic Name: 2-(4-heptoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Openeye Name: 2-(4-heptoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-heptoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-heptoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Traditional Name: 2-(4-heptoxyphenyl)-5-(4-octylphenyl)-1,3,4-thiadiazole Formula: C29H40N2OS MolecularWeight: 464.7057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCCCC

InChI

InChI=1S/C29H40N2OS/c1-3-5-7-9-10-12-14-24-15-17-25(18-16-24)28-30-31-29(33-28)26-19-21-27(22-20-26)32-23-13-11-8-6-4-2/h15-22H,3-14,23H2,1-2H3