2,5-bis(4-heptylphenyl)-1,3,4-thiadiazole

Systemtic Name: 2,5-bis(4-heptylphenyl)-1,3,4-thiadiazole Openeye Name: 2,5-bis(4-heptylphenyl)-1,3,4-thiadiazole CAS Name: 2,5-bis(4-heptylphenyl)-1,3,4-thiadiazole IUPAC Name: 2,5-bis(4-heptylphenyl)-1,3,4-thiadiazole Traditional Name: 2,5-bis(4-heptylphenyl)-1,3,4-thiadiazole Formula: C28H38N2S MolecularWeight: 434.67972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C28H38N2S/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27-29-30-28(31-27)26-21-17-24(18-22-26)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3