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

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)heptan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-heptanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)heptan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=CS2

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=CS2

InChI

InChI=1S/C17H25N3O2S/c1-3-5-7-8-11-15(21)20-16(14-10-9-13-23-14)18-17(19-20)22-12-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3