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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=NC=C3

InChI

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