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

Systemtic Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3-chloranyl-2,2-dimethyl-propan-1-one Openeye Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3-chloro-2,2-dimethyl-propan-1-one CAS Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3-chloro-2,2-dimethyl-1-propanone IUPAC Name: 1-(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-3-chloro-2,2-dimethylpropan-1-one Traditional Name: 1-[3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-3-chloro-2,2-dimethyl-propan-1-one Formula: C15H20ClN3O2S MolecularWeight: 341.8562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2S/c1-4-5-8-21-14-17-12(11-7-6-9-22-11)19(18-14)13(20)15(2,3)10-16/h6-7,9H,4-5,8,10H2,1-3H3