1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone

Systemtic Name: 1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone Openeye Name: 1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethylphenyl]ethanone IUPAC Name: 1-[3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone Traditional Name: 1-[3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethyl-phenyl]ethanone Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C3CCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C3CCCCC3)C)C

InChI

InChI=1S/C21H29N3OS/c1-13-11-14(2)20(16(4)25)15(3)19(13)12-26-21-23-22-17(5)24(21)18-9-7-6-8-10-18/h11,18H,6-10,12H2,1-5H3