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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)propanamide CAS Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]propionamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=CC(=CC=C2)SC)C3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=CC(=CC=C2)SC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS2/c1-14(2)13-26-19(16-8-10-22-11-9-16)24-25-21(26)29-15(3)20(27)23-17-6-5-7-18(12-17)28-4/h5-12,14-15H,13H2,1-4H3,(H,23,27)