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

Systemtic Name: 2,5-bis(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2,5-bis(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2,5-bis(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2,5-bis(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2,5-bis(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C30H42N2O2S MolecularWeight: 494.73168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C30H42N2O2S/c1-3-5-7-9-11-13-23-33-27-19-15-25(16-20-27)29-31-32-30(35-29)26-17-21-28(22-18-26)34-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3