2-[4-(2-methylbutyl)phenyl]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-[4-(2-methylbutyl)phenyl]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-[4-(2-methylbutyl)phenyl]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-[4-(2-methylbutyl)phenyl]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-[4-(2-methylbutyl)phenyl]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-[4-(2-methylbutyl)phenyl]-5-(4-nonoxyphenyl)-1,3,4-thiadiazole Formula: C28H38N2OS MolecularWeight: 450.67912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C28H38N2OS/c1-4-6-7-8-9-10-11-20-31-26-18-16-25(17-19-26)28-30-29-27(32-28)24-14-12-23(13-15-24)21-22(3)5-2/h12-19,22H,4-11,20-21H2,1-3H3