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

Systemtic Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 2-phenoxy-1-[3-(p-tolyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-[3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-16-9-11-17(12-10-16)21-24-22(23-14-19-8-5-13-29-19)26(25-21)20(27)15-28-18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,23,24,25)