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

Systemtic Name: N-[4-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[4-[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[4-[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]phenyl]acetamide Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

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