N-tert-butyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide

Systemtic Name: N-tert-butyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: N-tert-butyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: N-tert-butyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N-tert-butyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: N-tert-butyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propionamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCSC1=[N+](NC=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CCSC1=[N+](NC=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4OS/c1-15(2,3)18-13(20)9-10-21-14-16-11-17-19(14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,20)/p+1