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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-propyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(4-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-propyl-5-(2-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)NC2=C(C=CC=C2C)C)C3=CC=CC=N3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NC2=C(C=CC=C2C)C)C3=CC=CC=N3

InChI

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