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

Systemtic Name: 2-phenoxy-1-[5-[(phenylmethyl)amino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-(benzylamino)-3-(2-thienyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 2-phenoxy-1-[5-[(phenylmethyl)amino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-(benzylamino)-3-thiophen-2-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(benzylamino)-3-(2-thienyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c26-19(15-27-17-10-5-2-6-11-17)25-21(22-14-16-8-3-1-4-9-16)23-20(24-25)18-12-7-13-28-18/h1-13H,14-15H2,(H,22,23,24)