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

Systemtic Name: 1-[2,4,6-trimethyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2C)C3=CC=NC=C3)C

InChI

InChI=1S/C20H22N4OS/c1-12-10-13(2)18(15(4)25)14(3)17(12)11-26-20-23-22-19(24(20)5)16-6-8-21-9-7-16/h6-10H,11H2,1-5H3