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

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,3-dimethyl-1-butanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3,3-dimethylbutan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-5-6-9-21-15-17-14(12-8-7-10-22-12)19(18-15)13(20)11-16(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3