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

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3-methyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3-methyl-1-butanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3-methylbutan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)CC(C)C

InChI

InChI=1S/C15H21N3O2S/c1-4-5-8-20-15-16-14(12-7-6-9-21-12)18(17-15)13(19)10-11(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3