3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O2S/c1-2-25-19(15-8-11-22-12-9-15)23-24-20(25)29-14-18(28)26(13-10-17(21)27)16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3,(H2,21,27)