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

Systemtic Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-5-10-25-20(14-6-8-22-9-7-14)23-24-21(25)30-13-16(26)15-11-17(27-2)19(29-4)18(12-15)28-3/h6-9,11-12H,5,10,13H2,1-4H3