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

Systemtic Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Openeye Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide CAS Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propanamide IUPAC Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propanamide Traditional Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propionamide Formula: C11H13N4OS+ MolecularWeight: 249.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCCC(=O)N

InChI

InChI=1S/C11H12N4OS/c12-10(16)6-7-17-11-13-8-14-15(11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,16)/p+1