tert-butyl N-[2-(6-chloranylpyridin-2-yl)-5-methylsulfanyl-1,2,4-triazol-3-yl]carbamate

Systemtic Name: tert-butyl N-[2-(6-chloranylpyridin-2-yl)-5-methylsulfanyl-1,2,4-triazol-3-yl]carbamate Openeye Name: tert-butyl N-[2-(6-chloro-2-pyridyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]carbamate CAS Name: N-[2-(6-chloro-2-pyridinyl)-5-(methylthio)-1,2,4-triazol-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(6-chloropyridin-2-yl)-5-methylsulfanyl-1,2,4-triazol-3-yl]carbamate Traditional Name: N-[2-(6-chloro-2-pyridyl)-5-(methylthio)-1,2,4-triazol-3-yl]carbamic acid tert-butyl ester Formula: C13H16ClN5O2S MolecularWeight: 341.81644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=NN1C2=NC(=CC=C2)Cl)SC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=NN1C2=NC(=CC=C2)Cl)SC

InChI

InChI=1S/C13H16ClN5O2S/c1-13(2,3)21-12(20)17-10-16-11(22-4)18-19(10)9-7-5-6-8(14)15-9/h5-7H,1-4H3,(H,16,17,18,20)