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

Systemtic Name: 2-phenoxy-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 2-phenoxy-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 2-phenoxy-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 2-phenoxy-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 2-phenoxy-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c1-15(28-17-8-3-2-4-9-17)20(27)26-21(23-14-18-10-6-12-29-18)24-19(25-26)16-7-5-11-22-13-16/h2-13,15H,14H2,1H3,(H,23,24,25)