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

Systemtic Name: 1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one Openeye Name: 1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-hexanone IUPAC Name: 1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one Traditional Name: 1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=CS2

Isomeric SMILES

CCCCCC(=O)N1C(=NC(=N1)OCCC)C2=CC=CS2

InChI

InChI=1S/C15H21N3O2S/c1-3-5-6-9-13(19)18-14(12-8-7-11-21-12)16-15(17-18)20-10-4-2/h7-8,11H,3-6,9-10H2,1-2H3