3-[phenyl-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]amino]propanamide

Systemtic Name: 3-[phenyl-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]amino]propanamide Openeye Name: 3-(N-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H24N6O2S/c1-2-13-27-20(16-8-11-23-12-9-16)24-25-21(27)30-15-19(29)26(14-10-18(22)28)17-6-4-3-5-7-17/h3-9,11-12H,2,10,13-15H2,1H3,(H2,22,28)