tert-butyl N-[5-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]carbamate Openeye Name: tert-butyl N-[5-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]carbamate CAS Name: N-[5-[6-[(2,4-dichlorophenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]carbamate Traditional Name: N-[5-[6-[(2,4-dichlorobenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pentyl]carbamic acid tert-butyl ester Formula: C20H25Cl2N5O2S2 MolecularWeight: 502.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC1=NN=C2N1N=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC1=NN=C2N1N=C(S2)SCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H25Cl2N5O2S2/c1-20(2,3)29-18(28)23-10-6-4-5-7-16-24-25-17-27(16)26-19(31-17)30-12-13-8-9-14(21)11-15(13)22/h8-9,11H,4-7,10,12H2,1-3H3,(H,23,28)