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

Systemtic Name: 2-ethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one Openeye Name: 2-ethyl-1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 2-ethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-hexanone IUPAC Name: 2-ethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one Traditional Name: 2-ethyl-1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-7-9-13(6-3)16(21)20-15(14-10-8-12-23-14)18-17(19-20)22-11-5-2/h8,10,12-13H,4-7,9,11H2,1-3H3