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

Systemtic Name: 3,3-dimethyl-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=NC=C2

InChI

InChI=1S/C14H18N4OS/c1-14(2,3)11(19)9-20-13-17-16-12(18(13)4)10-5-7-15-8-6-10/h5-8H,9H2,1-4H3