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

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)CC)C3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)CC)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-3-11-22-18(26)14-27-20-24-23-19(16-9-12-21-13-10-16)25(20)17-7-5-15(4-2)6-8-17/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,22,26)