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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCCCCC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

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