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

Systemtic Name: 3-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-15(2)14-25-19(16-7-6-11-21-13-16)23-24-20(25)27-12-10-18(26)22-17-8-4-3-5-9-17/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,22,26)