tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-4-yl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-4-yl]carbamate Openeye Name: tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-(3-pyridyl)-1,2,4-triazol-4-yl]carbamate CAS Name: N-[3-[(4-chlorophenyl)methyl]-5-(3-pyridinyl)-1,2,4-triazol-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-4-yl]carbamate Traditional Name: N-[3-(4-chlorobenzyl)-5-(3-pyridyl)-1,2,4-triazol-4-yl]carbamic acid tert-butyl ester Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1C(=NN=C1C2=CN=CC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NN1C(=NN=C1C2=CN=CC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN5O2/c1-19(2,3)27-18(26)24-25-16(11-13-6-8-15(20)9-7-13)22-23-17(25)14-5-4-10-21-12-14/h4-10,12H,11H2,1-3H3,(H,24,26)