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

Systemtic Name: N,N-dimethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: N,N-dimethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: N,N-dimethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: N,N-dimethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: N,N-dimethyl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propionamide Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c1-16(2)12(18)8-9-19-13-14-10-15-17(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/p+1