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

Systemtic Name: tert-butyl N-[1-[6-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]carbamate Openeye Name: tert-butyl N-[1-[6-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]carbamate CAS Name: N-[1-[6-[(2-chlorophenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[6-[(2-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methylbutyl]carbamate Traditional Name: N-[1-[6-[(2-chlorobenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C20H26ClN5O2S2 MolecularWeight: 468.03574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C2N1N=C(S2)SCC3=CC=CC=C3Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C1=NN=C2N1N=C(S2)SCC3=CC=CC=C3Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H26ClN5O2S2/c1-12(2)10-15(22-18(27)28-20(3,4)5)16-23-24-17-26(16)25-19(30-17)29-11-13-8-6-7-9-14(13)21/h6-9,12,15H,10-11H2,1-5H3,(H,22,27)