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

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethyl-1-hexanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-ethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-4-7-10-14(6-3)17(22)21-16(15-11-9-13-24-15)19-18(20-21)23-12-8-5-2/h9,11,13-14H,4-8,10,12H2,1-3H3