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

Systemtic Name: 1-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-isopropylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-propan-2-ylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-p-cumenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-4-13-25-20(18-9-11-22-12-10-18)23-24-21(25)27-14-19(26)17-7-5-16(6-8-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3