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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[(4-phenyl-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=NN=CN2C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=CN2C3=CC=CC=C3)C)C

InChI

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