1-(4-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C19H22N4OS/c1-12-10-13(2)23-17(20-12)21-22-18(23)25-11-16(24)14-6-8-15(9-7-14)19(3,4)5/h6-10H,11H2,1-5H3