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

Systemtic Name: N-[3-methyl-4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]pentanamide Openeye Name: N-[3-methyl-4-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]pentanamide CAS Name: N-[3-methyl-4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-methyl-4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]pentanamide Traditional Name: N-[3-methyl-4-[[2-[[4-methyl-5-(4-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(N2C)C3=CC=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O2S/c1-4-5-6-19(29)24-17-7-8-18(15(2)13-17)25-20(30)14-31-22-27-26-21(28(22)3)16-9-11-23-12-10-16/h7-13H,4-6,14H2,1-3H3,(H,24,29)(H,25,30)