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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-(3,4-dimethoxyphenyl)-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C23H22N4O3S MolecularWeight: 434.51078

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=CC=C3)NCC4=CC=CS4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-29-19-11-10-16(13-20(19)30-2)14-21(28)27-23(24-15-18-9-6-12-31-18)25-22(26-27)17-7-4-3-5-8-17/h3-13H,14-15H2,1-2H3,(H,24,25,26)