N-(2-ethanoylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-ethanoylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2C(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O2S/c1-4-13-26-19(16-9-11-22-12-10-16)24-25-21(26)29-15(3)20(28)23-18-8-6-5-7-17(18)14(2)27/h5-12,15H,4,13H2,1-3H3,(H,23,28)