2-phenoxy-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 2-phenoxy-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 2-phenoxy-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 2-phenoxy-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2-phenoxy-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 2-phenoxy-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CS3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C(=NC(=N1)C2=CC=CC=C2)NCC3=CC=CS3)OC4=CC=CC=C4

InChI

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