1-(4-tert-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H26N4OS/c1-5-14-26-20(17-10-12-23-13-11-17)24-25-21(26)28-15-19(27)16-6-8-18(9-7-16)22(2,3)4/h6-13H,5,14-15H2,1-4H3