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

Systemtic Name: 4-[2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-(3-methoxypropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CN=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CN=CC=C3

InChI

InChI=1S/C20H22N6O3S/c1-29-11-3-10-26-19(15-4-2-9-22-12-15)24-25-20(26)30-13-17(27)23-16-7-5-14(6-8-16)18(21)28/h2,4-9,12H,3,10-11,13H2,1H3,(H2,21,28)(H,23,27)