2-[(4-azanyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-benzoxyphenyl)acetamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=N4

InChI

InChI=1S/C22H20N6O2S/c23-28-21(19-8-4-5-13-24-19)26-27-22(28)31-15-20(29)25-17-9-11-18(12-10-17)30-14-16-6-2-1-3-7-16/h1-13H,14-15,23H2,(H,25,29)