2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=N4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=N4

InChI

InChI=1S/C21H18N4OS/c1-2-25-20(18-9-5-6-12-22-18)23-24-21(25)27-14-19(26)17-11-10-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3