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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=CN2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=CN2C3=CC=CC=C3)C

InChI

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