(3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,6-dimethoxyphenyl)methanone

Systemtic Name: (3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,6-dimethoxyphenyl)methanone Openeye Name: [3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-(2,6-dimethoxyphenyl)methanone CAS Name: (3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,6-dimethoxyphenyl)methanone IUPAC Name: (3-butoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-(2,6-dimethoxyphenyl)methanone Traditional Name: [3-butoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]-(2,6-dimethoxyphenyl)methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=C(C=CC=C3OC)OC

InChI

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