2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide

Systemtic Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide Openeye Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-1-ium-2-yl-acetamide CAS Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-ylacetamide Traditional Name: 2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]-N-pyridin-1-ium-2-yl-acetamide Formula: C13H18N5OS+ MolecularWeight: 292.37992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCC(=O)NC2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCC(=O)NC2=CC=CC=[NH+]2

InChI

InChI=1S/C13H17N5OS/c1-9(2)7-11-16-13(18-17-11)20-8-12(19)15-10-5-3-4-6-14-10/h3-6,9H,7-8H2,1-2H3,(H,14,15,19)(H,16,17,18)/p+1