2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)-1-propanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)propan-1-one Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3)C)C

InChI

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