2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3)C

InChI

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