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

Systemtic Name: 3-methyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 3-methyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3-methyl-butan-1-one Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-9(2)8-12(18)17-13(11-6-5-7-20-11)15-14(16-17)19-10(3)4/h5-7,9-10H,8H2,1-4H3