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

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

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O2S/c1-3-22-19(28)15-6-5-7-16(12-15)23-17(27)13-29-20-25-24-18(26(20)4-2)14-8-10-21-11-9-14/h5-12H,3-4,13H2,1-2H3,(H,22,28)(H,23,27)