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

Systemtic Name: 3-(3,7-dimethyloctoxy)-2-heptyl-5-phenyl-2H-1,3,4-thiadiazole Openeye Name: 3-(3,7-dimethyloctoxy)-2-heptyl-5-phenyl-2H-1,3,4-thiadiazole CAS Name: 3-(3,7-dimethyloctoxy)-2-heptyl-5-phenyl-2H-1,3,4-thiadiazole IUPAC Name: 3-(3,7-dimethyloctoxy)-2-heptyl-5-phenyl-2H-1,3,4-thiadiazole Traditional Name: 3-(3,7-dimethyloctoxy)-2-heptyl-5-phenyl-2H-1,3,4-thiadiazole Formula: C25H42N2OS MolecularWeight: 418.67878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1N(N=C(S1)C2=CC=CC=C2)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCC1N(N=C(S1)C2=CC=CC=C2)OCCC(C)CCCC(C)C

InChI

InChI=1S/C25H42N2OS/c1-5-6-7-8-12-18-24-27(26-25(29-24)23-16-10-9-11-17-23)28-20-19-22(4)15-13-14-21(2)3/h9-11,16-17,21-22,24H,5-8,12-15,18-20H2,1-4H3