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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC(=C(C=C2)C)C)C3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1C2=CC(=C(C=C2)C)C)C3=CC=NC=C3

InChI

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