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

Systemtic Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone Openeye Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethylphenyl]ethanone IUPAC Name: 1-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone Traditional Name: 1-[3-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2,4,6-trimethyl-phenyl]ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C23H25N3OS/c1-14-12-15(2)21(17(4)27)16(3)20(14)13-28-23-25-24-22(18-10-11-18)26(23)19-8-6-5-7-9-19/h5-9,12,18H,10-11,13H2,1-4H3