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

Systemtic Name: tert-butyl N-[1-[6-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-phenyl-1-[6-(p-tolylmethylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]carbamate CAS Name: N-[1-[6-[(4-methylphenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[6-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]carbamate Traditional Name: N-[1-[6-[(4-methylbenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C24H27N5O2S2 MolecularWeight: 481.63348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN3C(=NN=C3S2)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN3C(=NN=C3S2)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N5O2S2/c1-16-10-12-18(13-11-16)15-32-23-28-29-20(26-27-21(29)33-23)19(14-17-8-6-5-7-9-17)25-22(30)31-24(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,25,30)