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

Systemtic Name: 1-[2,4,6-trimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=CN2C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=CN2C)C

InChI

InChI=1S/C15H19N3OS/c1-9-6-10(2)14(12(4)19)11(3)13(9)7-20-15-17-16-8-18(15)5/h6,8H,7H2,1-5H3