N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[4-(p-tolyl)-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:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)(C)C)C3=CC=NC=C3

InChI

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