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

Systemtic Name: 1-[2,4,6-trimethyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[3-[[(4-allyl-5-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(N2CC=C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3OS/c1-6-12-26-22(19-10-8-7-9-11-19)24-25-23(26)28-14-20-15(2)13-16(3)21(17(20)4)18(5)27/h6-11,13H,1,12,14H2,2-5H3