2-[4-(3,7-dimethyloctoxy)phenyl]-5-heptyl-1,3,4-thiadiazole

Systemtic Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-heptyl-1,3,4-thiadiazole Openeye Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-heptyl-1,3,4-thiadiazole CAS Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-heptyl-1,3,4-thiadiazole IUPAC Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-heptyl-1,3,4-thiadiazole Traditional Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-5-heptyl-1,3,4-thiadiazole Formula: C25H40N2OS MolecularWeight: 416.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

InChI

InChI=1S/C25H40N2OS/c1-5-6-7-8-9-13-24-26-27-25(29-24)22-14-16-23(17-15-22)28-19-18-21(4)12-10-11-20(2)3/h14-17,20-21H,5-13,18-19H2,1-4H3