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

Systemtic Name: N-[3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]cyclopropanecarboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)NC(=O)C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)NC(=O)C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O2S/c1-2-27-19(14-8-10-22-11-9-14)25-26-21(27)30-13-18(28)23-16-4-3-5-17(12-16)24-20(29)15-6-7-15/h3-5,8-12,15H,2,6-7,13H2,1H3,(H,23,28)(H,24,29)