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

Systemtic Name: 1-[2,4,6-trimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NNC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NNC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3OS/c1-12-10-13(2)18(15(4)24)14(3)17(12)11-25-20-21-19(22-23-20)16-8-6-5-7-9-16/h5-10H,11H2,1-4H3,(H,21,22,23)