N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC=C2C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC=C2C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-5-25-18(16-9-11-21-12-10-16)23-24-20(25)27-15(4)19(26)22-17-13(2)7-6-8-14(17)3/h6-12,15H,5H2,1-4H3,(H,22,26)