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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=CN2C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NN=CN2C)C

InChI

InChI=1S/C14H17N3OS/c1-9-5-10(2)13(11(3)6-9)12(18)7-19-14-16-15-8-17(14)4/h5-6,8H,7H2,1-4H3