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

Systemtic Name: 2-[2-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]sulfanylethanamide Openeye Name: 2-[2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]thio]acetamide IUPAC Name: 2-[2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]thio]acetamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O2S2/c1-24-17(12-6-8-20-9-7-12)22-23-18(24)28-11-16(26)21-13-4-2-3-5-14(13)27-10-15(19)25/h2-9H,10-11H2,1H3,(H2,19,25)(H,21,26)