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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)C

InChI

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