2-[4-[4-(3-methylbutoxy)phenyl]phenyl]-5-nonyl-1,3,4-thiadiazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC(C)C

InChI

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