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

Systemtic Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H19N3OS/c1-12-9-14(3)16(10-13(12)2)17(23)11-24-19-20-18(21-22-19)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,21,22)