2-butyl-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-butyl-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-butyl-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-thiadiazole CAS Name: 2-butyl-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-thiadiazole IUPAC Name: 2-butyl-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-thiadiazole Traditional Name: 2-butyl-5-[4-(4-octoxyphenyl)phenyl]-1,3,4-thiadiazole Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)CCCC

InChI

InChI=1S/C26H34N2OS/c1-3-5-7-8-9-10-20-29-24-18-16-22(17-19-24)21-12-14-23(15-13-21)26-28-27-25(30-26)11-6-4-2/h12-19H,3-11,20H2,1-2H3