2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-1-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-mesityl-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC=NN2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC=NN2)C

InChI

InChI=1S/C13H15N3OS/c1-8-4-9(2)12(10(3)5-8)11(17)6-18-13-14-7-15-16-13/h4-5,7H,6H2,1-3H3,(H,14,15,16)