ethyl 6-[[5-(5-imidazol-1-ylpentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethyl-hexanoate

Systemtic Name: ethyl 6-[[5-(5-imidazol-1-ylpentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[[5-(5-imidazol-1-ylpentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethyl-hexanoate CAS Name: 6-[[5-[5-(1-imidazolyl)pentylthio]-1,3,4-thiadiazol-2-yl]thio]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[[5-(5-imidazol-1-ylpentylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,2-dimethylhexanoate Traditional Name: 6-[[5-(5-imidazol-1-ylpentylthio)-1,3,4-thiadiazol-2-yl]thio]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C20H32N4O2S3 MolecularWeight: 456.68868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCSC1=NN=C(S1)SCCCCCN2C=CN=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCSC1=NN=C(S1)SCCCCCN2C=CN=C2

InChI

InChI=1S/C20H32N4O2S3/c1-4-26-17(25)20(2,3)10-6-9-15-28-19-23-22-18(29-19)27-14-8-5-7-12-24-13-11-21-16-24/h11,13,16H,4-10,12,14-15H2,1-3H3