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

Systemtic Name: N-methyl-4-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O2S/c1-3-12-26-18(14-8-10-22-11-9-14)24-25-20(26)29-13-17(27)23-16-6-4-15(5-7-16)19(28)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,28)(H,23,27)