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

Systemtic Name: N-(4-ethanoylphenyl)-2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CN=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CN=CC=C3

InChI

InChI=1S/C17H15N5O2S/c1-12(23)13-4-6-14(7-5-13)20-16(24)10-25-17-21-19-11-22(17)15-3-2-8-18-9-15/h2-9,11H,10H2,1H3,(H,20,24)