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

Systemtic Name: N-[4-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]thiophene-2-carboxamide Formula: C22H20N6O2S2 MolecularWeight: 464.5632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C22H20N6O2S2/c1-2-28-20(15-9-11-23-12-10-15)26-27-22(28)32-14-19(29)24-16-5-7-17(8-6-16)25-21(30)18-4-3-13-31-18/h3-13H,2,14H2,1H3,(H,24,29)(H,25,30)