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

Systemtic Name: N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]hexanamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-3-4-5-6-20(29)24-18-9-7-16(8-10-18)19(28)15-30-22-26-25-21(27(22)2)17-11-13-23-14-12-17/h7-14H,3-6,15H2,1-2H3,(H,24,29)