2-(3,4-dimethoxyphenyl)-1-[3-thiophen-2-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[3-thiophen-2-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[3-(2-thienyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[3-thiophen-2-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[3-thiophen-2-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[5-(2-thenylamino)-3-(2-thienyl)-1,2,4-triazol-1-yl]ethanone Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC=CS4)OC

InChI

InChI=1S/C21H20N4O3S2/c1-27-16-8-7-14(11-17(16)28-2)12-19(26)25-21(22-13-15-5-3-9-29-15)23-20(24-25)18-6-4-10-30-18/h3-11H,12-13H2,1-2H3,(H,22,23,24)