(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,4-dimethoxyphenyl)methanone

Systemtic Name: (3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,4-dimethoxyphenyl)methanone Openeye Name: [3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-(2,4-dimethoxyphenyl)methanone CAS Name: (3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,4-dimethoxyphenyl)methanone IUPAC Name: (3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,4-dimethoxyphenyl)methanone Traditional Name: [3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-(2,4-dimethoxyphenyl)methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O4S/c1-4-5-10-26-19-20-17(16-7-6-11-27-16)22(21-19)18(23)14-9-8-13(24-2)12-15(14)25-3/h6-9,11-12H,4-5,10H2,1-3H3