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

Systemtic Name: 2-phenoxy-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-phenoxy-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-phenoxy-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-phenoxy-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-phenoxy-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C20H17N5O2S/c26-18(14-27-16-7-2-1-3-8-16)25-20(22-13-17-9-5-11-28-17)23-19(24-25)15-6-4-10-21-12-15/h1-12H,13-14H2,(H,22,23,24)