1-[(3S)-4-tert-butyl-2-(4-chlorophenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[(3S)-4-tert-butyl-2-(4-chlorophenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[(3S)-4-tert-butyl-2-(4-chlorophenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[(3S)-4-tert-butyl-2-(4-chlorophenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[(3S)-4-tert-butyl-2-(4-chlorophenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[(3S)-4-tert-butyl-2-(4-chlorophenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C18H20ClN3OS MolecularWeight: 361.8889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=NN([C@H](N1C(C)(C)C)C2=CC=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3OS/c1-12(23)16-20-22(14-9-7-13(19)8-10-14)17(15-6-5-11-24-15)21(16)18(2,3)4/h5-11,17H,1-4H3/t17-/m0/s1