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

Systemtic Name: N-(2-phenoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-phenoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-phenoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-phenoxyphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-phenoxyphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H17N5O2S/c27-19(14-29-21-24-20(25-26-21)15-10-12-22-13-11-15)23-17-8-4-5-9-18(17)28-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,27)(H,24,25,26)