4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoylamino]benzamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C19H20N6O2S/c1-3-25-17(14-8-10-21-11-9-14)23-24-19(25)28-12(2)18(27)22-15-6-4-13(5-7-15)16(20)26/h4-12H,3H2,1-2H3,(H2,20,26)(H,22,27)