tert-butyl 2-[[5-bromanyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[[5-bromanyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: tert-butyl 2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid tert-butyl ester Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)SC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)SC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)Br

InChI

InChI=1S/C23H26BrN3O2S/c1-22(2,3)29-19(28)23(4,5)30-21-26-25-20(24)27(21)18-13-12-15(14-10-11-14)16-8-6-7-9-17(16)18/h6-9,12-14H,10-11H2,1-5H3