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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=C(C=CC(=C2)C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=C(C=CC(=C2)C)C)C3=CC=NC=C3

InChI

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