1-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-4-7-9-14(5-2)17(22)21-16(15-10-8-13-25-15)19-18(20-21)24-12-11-23-6-3/h8,10,13-14H,4-7,9,11-12H2,1-3H3