1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one

Systemtic Name: 1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one Openeye Name: 1-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethyl-1-hexanone IUPAC Name: 1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethylhexan-1-one Traditional Name: 1-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC)C2=CC=CS2

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC)C2=CC=CS2

InChI

InChI=1S/C16H23N3O2S/c1-4-7-9-12(5-2)15(20)19-14(13-10-8-11-22-13)17-16(18-19)21-6-3/h8,10-12H,4-7,9H2,1-3H3