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

Systemtic Name: 1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-3-6-11(17)16-12(10-7-5-9-19-10)14-13(15-16)18-8-4-2/h5,7,9H,3-4,6,8H2,1-2H3