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

Systemtic Name: 4-chloranyl-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Openeye Name: 4-chloro-1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 4-chloro-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 4-chloro-1-(3-propan-2-yloxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)butan-1-one Traditional Name: 4-chloro-1-[3-isopropoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC=CS2)C(=O)CCCCl

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC=CS2)C(=O)CCCCl

InChI

InChI=1S/C13H16ClN3O2S/c1-9(2)19-13-15-12(10-5-4-8-20-10)17(16-13)11(18)6-3-7-14/h4-5,8-9H,3,6-7H2,1-2H3