1-(4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)ethanone

Systemtic Name: 1-(4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)ethanone Openeye Name: 1-[4-tert-butyl-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-(4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)ethanone IUPAC Name: 1-(4-tert-butyl-2-phenyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)ethanone Traditional Name: 1-[4-tert-butyl-2-phenyl-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C(C)(C)C)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=NN(C(N1C(C)(C)C)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-13(22)16-19-21(14-9-6-5-7-10-14)17(15-11-8-12-23-15)20(16)18(2,3)4/h5-12,17H,1-4H3