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

Systemtic Name: N-ethyl-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-ethyl-N-phenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-ethyl-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-ethyl-N-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-ethyl-N-phenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)N(CC)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)N(CC)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-15-26-19(17-11-13-22-14-12-17)23-24-21(26)28-16(3)20(27)25(5-2)18-9-7-6-8-10-18/h6-14,16H,4-5,15H2,1-3H3