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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O2S/c21-15-5-7-16(8-6-15)28-13-18(27)26-20(23-12-17-4-2-10-29-17)24-19(25-26)14-3-1-9-22-11-14/h1-11H,12-13H2,(H,23,24,25)