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

Systemtic Name: 1-(4-ethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-ethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-ethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-ethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4OS/c1-2-12-3-5-13(6-4-12)15(22)11-23-17-19-16(20-21-17)14-7-9-18-10-8-14/h3-10H,2,11H2,1H3,(H,19,20,21)