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

Systemtic Name: N-(4-phenylmethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-phenylmethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-phenylmethoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C22H19N5O2S/c28-20(15-30-22-25-21(26-27-22)17-10-12-23-13-11-17)24-18-6-8-19(9-7-18)29-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,28)(H,25,26,27)