N-[4-[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]pentanamide

Systemtic Name: N-[4-[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]pentanamide Openeye Name: N-[4-[[2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]pentanamide CAS Name: N-[4-[[2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]phenyl]pentanamide IUPAC Name: N-[4-[[2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]pentanamide Traditional Name: N-[4-[[2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]valeramide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CN=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CN=CC=C3

InChI

InChI=1S/C22H26N6O2S/c1-3-5-8-19(29)24-17-9-11-18(12-10-17)25-20(30)15-31-22-27-26-21(28(22)4-2)16-7-6-13-23-14-16/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,24,29)(H,25,30)