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

Systemtic Name: 1-(2,5-diethylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)CC)CC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)CC)CC

InChI

InChI=1S/C17H23N3OS/c1-4-7-16-18-17(20-19-16)22-11-15(21)14-10-12(5-2)8-9-13(14)6-3/h8-10H,4-7,11H2,1-3H3,(H,18,19,20)