1-[5-[(4-methoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-(2-thienyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-[(4-methoxyphenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(p-anisylamino)-3-(2-thienyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H20N4O3S/c1-28-17-11-9-16(10-12-17)14-23-22-24-21(19-8-5-13-30-19)25-26(22)20(27)15-29-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,23,24,25)