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

Systemtic Name: 1-(2,5-diethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-3-14-10-11-15(4-2)17(12-14)18(24)13-25-20-21-19(22-23-20)16-8-6-5-7-9-16/h5-12H,3-4,13H2,1-2H3,(H,21,22,23)