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

Systemtic Name: 1-[3-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone Openeye Name: 1-[3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[3-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethylphenyl]ethanone IUPAC Name: 1-[3-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone Traditional Name: 1-[3-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethyl-phenyl]ethanone Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2N)C3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2N)C3CCCCC3)C

InChI

InChI=1S/C20H28N4OS/c1-12-10-13(2)18(15(4)25)14(3)17(12)11-26-20-23-22-19(24(20)21)16-8-6-5-7-9-16/h10,16H,5-9,11,21H2,1-4H3