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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(=NC(=N1)OC)C2=CC=CS2

Isomeric SMILES

CC(C)(C)CC(=O)N1C(=NC(=N1)OC)C2=CC=CS2

InChI

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