3-chloranyl-1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2,2-dimethyl-propan-1-one

Systemtic Name: 3-chloranyl-1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2,2-dimethyl-propan-1-one Openeye Name: 3-chloro-1-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 3-chloro-1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2,2-dimethyl-1-propanone IUPAC Name: 3-chloro-1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2,2-dimethylpropan-1-one Traditional Name: 3-chloro-1-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c1-4-19-12-15-10(9-6-5-7-20-9)17(16-12)11(18)13(2,3)8-14/h5-7H,4,8H2,1-3H3