N-(3-ethanoylphenyl)-2-phenyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-phenyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-phenyl-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C30H25N5O2S MolecularWeight: 519.6168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C30H25N5O2S/c1-21(36)24-14-8-16-26(18-24)32-29(37)27(23-12-6-3-7-13-23)38-30-34-33-28(25-15-9-17-31-19-25)35(30)20-22-10-4-2-5-11-22/h2-19,27H,20H2,1H3,(H,32,37)